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

C29H49N — CID 72512399

IUPACN-(4,8-dimethylnona-3,7-dienyl)-N-methyl-2-(2,6,10-trimethylundeca-1,5,9-trienyl)cyclopropan-1-amine
SMILESCC(C)=CCCC(C)=CCCC(C)=CC1CC1N(C)CCC=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
InChIKeyFWSNGEFHFVHGMJ-UHFFFAOYSA-N
MW411.72 g/mol
LogP8.81
Rot. Bonds14

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

N-(4,8-dimethylnona-3,7-dienyl)-N-methyl-2-(2,6,10-trimethylundeca-1,5,9-trienyl)cyclopropan-1-amine (PubChem CID 72512399) has the molecular formula C29H49N and a molecular weight of 411.72 g/mol. Its IUPAC name is N-(4,8-dimethylnona-3,7-dienyl)-N-methyl-2-(2,6,10-trimethylundeca-1,5,9-trienyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-(4,8-dimethylnona-3,7-dienyl)-N-methyl-2-(2,6,10-trimethylundeca-1,5,9-trienyl)cyclopropan-1-amine
PubChem CID72512399
Molecular FormulaC29H49N
Molecular Weight411.72 g/mol
Exact Mass411.39
IUPAC NameN-(4,8-dimethylnona-3,7-dienyl)-N-methyl-2-(2,6,10-trimethylundeca-1,5,9-trienyl)cyclopropan-1-amine
SMILESCC(C)=CCCC(C)=CCCC(C)=CC1CC1N(C)CCC=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
InChIKeyFWSNGEFHFVHGMJ-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,8-dimethylnona-3,7-dienyl)-N-methyl-2-(2,6,10-trimethylundeca-1,5,9-trienyl)cyclopropan-1-amine?
The IUPAC name of N-(4,8-dimethylnona-3,7-dienyl)-N-methyl-2-(2,6,10-trimethylundeca-1,5,9-trienyl)cyclopropan-1-amine (CID 72512399) is N-(4,8-dimethylnona-3,7-dienyl)-N-methyl-2-(2,6,10-trimethylundeca-1,5,9-trienyl)cyclopropan-1-amine.
What is the SMILES notation for N-(4,8-dimethylnona-3,7-dienyl)-N-methyl-2-(2,6,10-trimethylundeca-1,5,9-trienyl)cyclopropan-1-amine?
The canonical SMILES for N-(4,8-dimethylnona-3,7-dienyl)-N-methyl-2-(2,6,10-trimethylundeca-1,5,9-trienyl)cyclopropan-1-amine is CC(C)=CCCC(C)=CCCC(C)=CC1CC1N(C)CCC=C(C)CCC=C(C)C.
What is the InChIKey of N-(4,8-dimethylnona-3,7-dienyl)-N-methyl-2-(2,6,10-trimethylundeca-1,5,9-trienyl)cyclopropan-1-amine?
The InChIKey is FWSNGEFHFVHGMJ-UHFFFAOYSA-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.
What are the key properties of N-(4,8-dimethylnona-3,7-dienyl)-N-methyl-2-(2,6,10-trimethylundeca-1,5,9-trienyl)cyclopropan-1-amine?
N-(4,8-dimethylnona-3,7-dienyl)-N-methyl-2-(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-(4,8-dimethylnona-3,7-dienyl)-N-methyl-2-(2,6,10-trimethylundeca-1,5,9-trienyl)cyclopropan-1-amine is sourced from PubChem (CID 72512399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).