1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,2-dimethyl-4,5-dihydroimidazole;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1-ethyl-2-methyl-4,5-dihydroimidazole;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;methane;2-methyl-4,5-dihydro-1H-imidazole;N-methylpropan-2-imine;2-methyl-1,4,5,6-tetrahydropyrimidine;1-piperidin-1-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine

C63H130N22 — CID 160590925

About 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,2-dimethyl-4,5-dihydroimidazole;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1-ethyl-2-methyl-4,5-dihydroimidazole;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;methane;2-methyl-4,5-dihydro-1H-imidazole;N-methylpropan-2-imine;2-methyl-1,4,5,6-tetrahydropyrimidine;1-piperidin-1-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine

1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,2-dimethyl-4,5-dihydroimidazole;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1-ethyl-2-methyl-4,5-dihydroimidazole;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;methane;2-methyl-4,5-dihydro-1H-imidazole;N-methylpropan-2-imine;2-methyl-1,4,5,6-tetrahydropyrimidine;1-piperidin-1-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine (PubChem CID 160590925) has the molecular formula C63H130N22 and a molecular weight of 1195.89 g/mol. Its IUPAC name is 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,2-dimethyl-4,5-dihydroimidazole;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1-ethyl-2-methyl-4,5-dihydroimidazole;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;methane;2-methyl-4,5-dihydro-1H-imidazole;N-methylpropan-2-imine;2-methyl-1,4,5,6-tetrahydropyrimidine;1-piperidin-1-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine.

Molecular Properties

• Compound Name: 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,2-dimethyl-4,5-dihydroimidazole;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1-ethyl-2-methyl-4,5-dihydroimidazole;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;methane;2-methyl-4,5-dihydro-1H-imidazole;N-methylpropan-2-imine;2-methyl-1,4,5,6-tetrahydropyrimidine;1-piperidin-1-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine
• PubChem CID: 160590925
• Molecular Formula: C63H130N22
• Molecular Weight: 1195.89 g/mol
• Exact Mass: 1195.08
• IUPAC Name: 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,2-dimethyl-4,5-dihydroimidazole;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1-ethyl-2-methyl-4,5-dihydroimidazole;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;methane;2-methyl-4,5-dihydro-1H-imidazole;N-methylpropan-2-imine;2-methyl-1,4,5,6-tetrahydropyrimidine;1-piperidin-1-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine
• SMILES: C.CC1=NCCCN1.CC1=NCCCN1C.CC1=NCCN1.CC1=NCCN1C.CCN1CCCN=C1C.CCN1CCN=C1C.CN=C(C)C.[H]/N=C(\C)N1CC1.[H]/N=C(\C)N1CCC1.[H]/N=C(\C)N1CCCC1.[H]/N=C(\C)N1CCCCC1.[H]N=C(C)C
• InChI: InChI=1S/2C7H14N2.3C6H12N2.3C5H10N2.2C4H8N2.C4H9N.C3H7N.CH4/c1-7(8)9-5-3-2-4-6-9;1-3-9-6-4-5-8-7(9)2;1-6-7-4-3-5-8(6)2;1-6(7)8-4-2-3-5-8;1-3-8-5-4-7-6(8)2;1-5-6-3-4-7(5)2;1-5(6)7-3-2-4-7;1-5-6-3-2-4-7-5;1-4(5)6-2-3-6;1-4-5-2-3-6-4;1-4(2)5-3;1-3(2)4;/h8H,2-6H2,1H3;3-6H2,1-2H3;3-5H2,1-2H3;7H,2-5H2,1H3;3-5H2,1-2H3;3-4H2,1-2H3;6H,2-4H2,1H3;2-4H2,1H3,(H,6,7);5H,2-3H2,1H3;2-3H2,1H3,(H,5,6);1-3H3;4H,1-2H3;1H4/b8-7+;;;7-6+;;;6-5+;;5-4+
• InChIKey: RCZQJTKQOZMLGO-XBKQIYANSA-N
• XLogP: 9.68
• TPSA: 255.52 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 2
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1195.89
LogP ≤ 5	9.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,2-dimethyl-4,5-dihydroimidazole;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1-ethyl-2-methyl-4,5-dihydroimidazole;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;methane;2-methyl-4,5-dihydro-1H-imidazole;N-methylpropan-2-imine;2-methyl-1,4,5,6-tetrahydropyrimidine;1-piperidin-1-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine?

The IUPAC name of 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,2-dimethyl-4,5-dihydroimidazole;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1-ethyl-2-methyl-4,5-dihydroimidazole;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;methane;2-methyl-4,5-dihydro-1H-imidazole;N-methylpropan-2-imine;2-methyl-1,4,5,6-tetrahydropyrimidine;1-piperidin-1-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine (CID 160590925) is 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,2-dimethyl-4,5-dihydroimidazole;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1-ethyl-2-methyl-4,5-dihydroimidazole;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;methane;2-methyl-4,5-dihydro-1H-imidazole;N-methylpropan-2-imine;2-methyl-1,4,5,6-tetrahydropyrimidine;1-piperidin-1-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine.

What is the SMILES notation for 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,2-dimethyl-4,5-dihydroimidazole;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1-ethyl-2-methyl-4,5-dihydroimidazole;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;methane;2-methyl-4,5-dihydro-1H-imidazole;N-methylpropan-2-imine;2-methyl-1,4,5,6-tetrahydropyrimidine;1-piperidin-1-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine?

The canonical SMILES for 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,2-dimethyl-4,5-dihydroimidazole;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1-ethyl-2-methyl-4,5-dihydroimidazole;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;methane;2-methyl-4,5-dihydro-1H-imidazole;N-methylpropan-2-imine;2-methyl-1,4,5,6-tetrahydropyrimidine;1-piperidin-1-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine is C.CC1=NCCCN1.CC1=NCCCN1C.CC1=NCCN1.CC1=NCCN1C.CCN1CCCN=C1C.CCN1CCN=C1C.CN=C(C)C.[H]/N=C(\C)N1CC1.[H]/N=C(\C)N1CCC1.[H]/N=C(\C)N1CCCC1.[H]/N=C(\C)N1CCCCC1.[H]N=C(C)C.

What is the InChIKey of 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,2-dimethyl-4,5-dihydroimidazole;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1-ethyl-2-methyl-4,5-dihydroimidazole;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;methane;2-methyl-4,5-dihydro-1H-imidazole;N-methylpropan-2-imine;2-methyl-1,4,5,6-tetrahydropyrimidine;1-piperidin-1-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine?

The InChIKey is RCZQJTKQOZMLGO-XBKQIYANSA-N. The full InChI is InChI=1S/2C7H14N2.3C6H12N2.3C5H10N2.2C4H8N2.C4H9N.C3H7N.CH4/c1-7(8)9-5-3-2-4-6-9;1-3-9-6-4-5-8-7(9)2;1-6-7-4-3-5-8(6)2;1-6(7)8-4-2-3-5-8;1-3-8-5-4-7-6(8)2;1-5-6-3-4-7(5)2;1-5(6)7-3-2-4-7;1-5-6-3-2-4-7-5;1-4(5)6-2-3-6;1-4-5-2-3-6-4;1-4(2)5-3;1-3(2)4;/h8H,2-6H2,1H3;3-6H2,1-2H3;3-5H2,1-2H3;7H,2-5H2,1H3;3-5H2,1-2H3;3-4H2,1-2H3;6H,2-4H2,1H3;2-4H2,1H3,(H,6,7);5H,2-3H2,1H3;2-3H2,1H3,(H,5,6);1-3H3;4H,1-2H3;1H4/b8-7+;;;7-6+;;;6-5+;;5-4+;;;;.

What are the key properties of 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,2-dimethyl-4,5-dihydroimidazole;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1-ethyl-2-methyl-4,5-dihydroimidazole;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;methane;2-methyl-4,5-dihydro-1H-imidazole;N-methylpropan-2-imine;2-methyl-1,4,5,6-tetrahydropyrimidine;1-piperidin-1-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine?

1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,2-dimethyl-4,5-dihydroimidazole;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1-ethyl-2-methyl-4,5-dihydroimidazole;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;methane;2-methyl-4,5-dihydro-1H-imidazole;N-methylpropan-2-imine;2-methyl-1,4,5,6-tetrahydropyrimidine;1-piperidin-1-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine has a molecular weight of 1195.89 g/mol, XLogP of 9.68, 2 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,2-dimethyl-4,5-dihydroimidazole;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1-ethyl-2-methyl-4,5-dihydroimidazole;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;methane;2-methyl-4,5-dihydro-1H-imidazole;N-methylpropan-2-imine;2-methyl-1,4,5,6-tetrahydropyrimidine;1-piperidin-1-ylethanimine;propan-2-imine;1-pyrrolidin-1-ylethanimine is sourced from PubChem (CID 160590925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).