5-cyclobutyl-4-N-[1-[(1R,5S)-3-[4,4-dimethyl-3-(methylamino)pent-1-en-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]ethenyl]-3-methylidenepent-1-ene-2,4-diamine;N-(cyclopropylmethyl)-6,6-dimethyl-2-methylideneheptan-1-amine;ethane;N-methylprop-1-en-2-amine

C47H88N6 — CID 143352775

About 5-cyclobutyl-4-N-[1-[(1R,5S)-3-[4,4-dimethyl-3-(methylamino)pent-1-en-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]ethenyl]-3-methylidenepent-1-ene-2,4-diamine;N-(cyclopropylmethyl)-6,6-dimethyl-2-methylideneheptan-1-amine;ethane;N-methylprop-1-en-2-amine

5-cyclobutyl-4-N-[1-[(1R,5S)-3-[4,4-dimethyl-3-(methylamino)pent-1-en-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]ethenyl]-3-methylidenepent-1-ene-2,4-diamine;N-(cyclopropylmethyl)-6,6-dimethyl-2-methylideneheptan-1-amine;ethane;N-methylprop-1-en-2-amine (PubChem CID 143352775) has the molecular formula C47H88N6 and a molecular weight of 737.26 g/mol. Its IUPAC name is 5-cyclobutyl-4-N-[1-[(1R,5S)-3-[4,4-dimethyl-3-(methylamino)pent-1-en-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]ethenyl]-3-methylidenepent-1-ene-2,4-diamine;N-(cyclopropylmethyl)-6,6-dimethyl-2-methylideneheptan-1-amine;ethane;N-methylprop-1-en-2-amine.

Molecular Properties

• Compound Name: 5-cyclobutyl-4-N-[1-[(1R,5S)-3-[4,4-dimethyl-3-(methylamino)pent-1-en-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]ethenyl]-3-methylidenepent-1-ene-2,4-diamine;N-(cyclopropylmethyl)-6,6-dimethyl-2-methylideneheptan-1-amine;ethane;N-methylprop-1-en-2-amine
• PubChem CID: 143352775
• Molecular Formula: C47H88N6
• Molecular Weight: 737.26 g/mol
• Exact Mass: 736.71
• IUPAC Name: 5-cyclobutyl-4-N-[1-[(1R,5S)-3-[4,4-dimethyl-3-(methylamino)pent-1-en-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]ethenyl]-3-methylidenepent-1-ene-2,4-diamine;N-(cyclopropylmethyl)-6,6-dimethyl-2-methylideneheptan-1-amine;ethane;N-methylprop-1-en-2-amine
• SMILES: C=C(C)NC.C=C(CCCC(C)(C)C)CNCC1CC1.C=C(N)C(=C)C(CC1CCC1)NC(=C)C1[C@@H]2[C@H](CN1C(=C)C(NC)C(C)(C)C)C2(C)C.CC
• InChI: InChI=1S/C27H46N4.C14H27N.C4H9N.C2H6/c1-16(17(2)28)22(14-20-12-11-13-20)30-18(3)24-23-21(27(23,8)9)15-31(24)19(4)25(29-10)26(5,6)7;1-12(6-5-9-14(2,3)4)10-15-11-13-7-8-13;1-4(2)5-3;1-2/h20-25,29-30H,1-4,11-15,28H2,5-10H3;13,15H,1,5-11H2,2-4H3;5H,1H2,2-3H3;1-2H3/t21-,22?,23-,24?,25?;;;/m0.../s1
• InChIKey: FIAUKNKPWOXEEB-UOZOJJLUSA-N
• XLogP: 10.31
• TPSA: 77.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.26
LogP ≤ 5	10.31
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-4-N-[1-[(1R,5S)-3-[4,4-dimethyl-3-(methylamino)pent-1-en-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]ethenyl]-3-methylidenepent-1-ene-2,4-diamine;N-(cyclopropylmethyl)-6,6-dimethyl-2-methylideneheptan-1-amine;ethane;N-methylprop-1-en-2-amine?

The IUPAC name of 5-cyclobutyl-4-N-[1-[(1R,5S)-3-[4,4-dimethyl-3-(methylamino)pent-1-en-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]ethenyl]-3-methylidenepent-1-ene-2,4-diamine;N-(cyclopropylmethyl)-6,6-dimethyl-2-methylideneheptan-1-amine;ethane;N-methylprop-1-en-2-amine (CID 143352775) is 5-cyclobutyl-4-N-[1-[(1R,5S)-3-[4,4-dimethyl-3-(methylamino)pent-1-en-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]ethenyl]-3-methylidenepent-1-ene-2,4-diamine;N-(cyclopropylmethyl)-6,6-dimethyl-2-methylideneheptan-1-amine;ethane;N-methylprop-1-en-2-amine.

What is the SMILES notation for 5-cyclobutyl-4-N-[1-[(1R,5S)-3-[4,4-dimethyl-3-(methylamino)pent-1-en-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]ethenyl]-3-methylidenepent-1-ene-2,4-diamine;N-(cyclopropylmethyl)-6,6-dimethyl-2-methylideneheptan-1-amine;ethane;N-methylprop-1-en-2-amine?

The canonical SMILES for 5-cyclobutyl-4-N-[1-[(1R,5S)-3-[4,4-dimethyl-3-(methylamino)pent-1-en-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]ethenyl]-3-methylidenepent-1-ene-2,4-diamine;N-(cyclopropylmethyl)-6,6-dimethyl-2-methylideneheptan-1-amine;ethane;N-methylprop-1-en-2-amine is C=C(C)NC.C=C(CCCC(C)(C)C)CNCC1CC1.C=C(N)C(=C)C(CC1CCC1)NC(=C)C1[C@@H]2[C@H](CN1C(=C)C(NC)C(C)(C)C)C2(C)C.CC.

What is the InChIKey of 5-cyclobutyl-4-N-[1-[(1R,5S)-3-[4,4-dimethyl-3-(methylamino)pent-1-en-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]ethenyl]-3-methylidenepent-1-ene-2,4-diamine;N-(cyclopropylmethyl)-6,6-dimethyl-2-methylideneheptan-1-amine;ethane;N-methylprop-1-en-2-amine?

The InChIKey is FIAUKNKPWOXEEB-UOZOJJLUSA-N. The full InChI is InChI=1S/C27H46N4.C14H27N.C4H9N.C2H6/c1-16(17(2)28)22(14-20-12-11-13-20)30-18(3)24-23-21(27(23,8)9)15-31(24)19(4)25(29-10)26(5,6)7;1-12(6-5-9-14(2,3)4)10-15-11-13-7-8-13;1-4(2)5-3;1-2/h20-25,29-30H,1-4,11-15,28H2,5-10H3;13,15H,1,5-11H2,2-4H3;5H,1H2,2-3H3;1-2H3/t21-,22?,23-,24?,25?;;;/m0.../s1.

What are the key properties of 5-cyclobutyl-4-N-[1-[(1R,5S)-3-[4,4-dimethyl-3-(methylamino)pent-1-en-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]ethenyl]-3-methylidenepent-1-ene-2,4-diamine;N-(cyclopropylmethyl)-6,6-dimethyl-2-methylideneheptan-1-amine;ethane;N-methylprop-1-en-2-amine?

5-cyclobutyl-4-N-[1-[(1R,5S)-3-[4,4-dimethyl-3-(methylamino)pent-1-en-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]ethenyl]-3-methylidenepent-1-ene-2,4-diamine;N-(cyclopropylmethyl)-6,6-dimethyl-2-methylideneheptan-1-amine;ethane;N-methylprop-1-en-2-amine has a molecular weight of 737.26 g/mol, XLogP of 10.31, 18 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclobutyl-4-N-[1-[(1R,5S)-3-[4,4-dimethyl-3-(methylamino)pent-1-en-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]ethenyl]-3-methylidenepent-1-ene-2,4-diamine;N-(cyclopropylmethyl)-6,6-dimethyl-2-methylideneheptan-1-amine;ethane;N-methylprop-1-en-2-amine is sourced from PubChem (CID 143352775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).