N-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-methyl-2-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-amine

C29H49N — CID 59087303

IUPACN-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-methyl-2-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-amine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C1CC1N(C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C29H49N/c1-23(2)13-9-15-25(5)17-11-18-27(7)21-28-22-29(28)30(8)20-12-19-26(6)16-10-14-24(3)4/h13-14,17,19,21,28-29H,9-12,15-16,18,20,22H2,1-8H3/b25-17+,26-19+,27-21+
InChIKeyFWSNGEFHFVHGMJ-VHAZJVCSSA-N
MW411.72 g/mol
LogP8.81
Rot. Bonds14

About N-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-methyl-2-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-amine

N-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-methyl-2-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-amine (PubChem CID 59087303) has the molecular formula C29H49N and a molecular weight of 411.72 g/mol. Its IUPAC name is N-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-methyl-2-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-amine.

Molecular Properties

Compound NameN-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-methyl-2-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-amine
PubChem CID59087303
Molecular FormulaC29H49N
Molecular Weight411.72 g/mol
Exact Mass411.39
IUPAC NameN-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-methyl-2-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-amine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C1CC1N(C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C29H49N/c1-23(2)13-9-15-25(5)17-11-18-27(7)21-28-22-29(28)30(8)20-12-19-26(6)16-10-14-24(3)4/h13-14,17,19,21,28-29H,9-12,15-16,18,20,22H2,1-8H3/b25-17+,26-19+,27-21+
InChIKeyFWSNGEFHFVHGMJ-VHAZJVCSSA-N
XLogP8.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.72
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-methyl-2-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-methyl-2-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-amine?
The IUPAC name of N-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-methyl-2-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-amine (CID 59087303) is N-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-methyl-2-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-amine.
What is the SMILES notation for N-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-methyl-2-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-amine?
The canonical SMILES for N-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-methyl-2-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-amine is CC(C)=CCC/C(C)=C/CC/C(C)=C/C1CC1N(C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of N-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-methyl-2-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-amine?
The InChIKey is FWSNGEFHFVHGMJ-VHAZJVCSSA-N. The full InChI is InChI=1S/C29H49N/c1-23(2)13-9-15-25(5)17-11-18-27(7)21-28-22-29(28)30(8)20-12-19-26(6)16-10-14-24(3)4/h13-14,17,19,21,28-29H,9-12,15-16,18,20,22H2,1-8H3/b25-17+,26-19+,27-21+.
What are the key properties of N-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-methyl-2-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-amine?
N-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-methyl-2-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-amine has a molecular weight of 411.72 g/mol, XLogP of 8.81, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-methyl-2-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-amine is sourced from PubChem (CID 59087303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).