[2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine;ethane

C19H37N3 — CID 144812695

IUPAC[2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine;ethane
SMILESCC.CC.[H]/N=C/N1C=C(C(C)C)CN=C1/C=C\C(C)C(C)C
InChIInChI=1S/C15H25N3.2C2H6/c1-11(2)13(5)6-7-15-17-8-14(12(3)4)9-18(15)10-16;2*1-2/h6-7,9-13,16H,8H2,1-5H3;2*1-2H3/b7-6-,16-10+;;
InChIKeyUHOANSNVVGYJLK-MOYBKCQWSA-N
MW307.53 g/mol
LogP5.75
Rot. Bonds5

About [2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine;ethane

[2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine;ethane (PubChem CID 144812695) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is [2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine;ethane.

Molecular Properties

Compound Name[2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine;ethane
PubChem CID144812695
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC Name[2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine;ethane
SMILESCC.CC.[H]/N=C/N1C=C(C(C)C)CN=C1/C=C\C(C)C(C)C
InChIInChI=1S/C15H25N3.2C2H6/c1-11(2)13(5)6-7-15-17-8-14(12(3)4)9-18(15)10-16;2*1-2/h6-7,9-13,16H,8H2,1-5H3;2*1-2H3/b7-6-,16-10+;;
InChIKeyUHOANSNVVGYJLK-MOYBKCQWSA-N
XLogP5.75
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.53
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine;ethane
CID 144997948
[2-[(Z)-3,4-dimethylpent-1-enyl]-4-methyl-4-propan-2-ylpyrimidin-1-yl]methanimine
CID 144998032
[4-methyl-4-propan-2-yl-2-[(Z)-3,4,4-trimethylpent-1-enyl]pyrimidin-1-yl]methanimine
CID 144998076
Carbanide;1-methanimidoyl-5-propan-2-ylpyridin-2-imine;rubidium(1+)
CID 163219092
Ethane;1-methanimidoyl-5-propan-2-ylpyridin-2-imine
CID 168257723
[2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine
CID 144812696
[2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine
CID 144997949
1-Methanimidoyl-5-propan-2-ylpyridin-2-imine
CID 163219093

Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine;ethane?
The IUPAC name of [2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine;ethane (CID 144812695) is [2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine;ethane.
What is the SMILES notation for [2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine;ethane?
The canonical SMILES for [2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine;ethane is CC.CC.[H]/N=C/N1C=C(C(C)C)CN=C1/C=C\C(C)C(C)C.
What is the InChIKey of [2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine;ethane?
The InChIKey is UHOANSNVVGYJLK-MOYBKCQWSA-N. The full InChI is InChI=1S/C15H25N3.2C2H6/c1-11(2)13(5)6-7-15-17-8-14(12(3)4)9-18(15)10-16;2*1-2/h6-7,9-13,16H,8H2,1-5H3;2*1-2H3/b7-6-,16-10+;;.
What are the key properties of [2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine;ethane?
[2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine;ethane has a molecular weight of 307.53 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine;ethane is sourced from PubChem (CID 144812695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).