5-ethenyl-4-hepta-2,3-dien-4-yl-N-hept-1-en-2-yl-8-methyl-N-propylnonan-1-amine

C29H53N — CID 146593464

IUPAC5-ethenyl-4-hepta-2,3-dien-4-yl-N-hept-1-en-2-yl-8-methyl-N-propylnonan-1-amine
SMILESC=CC(CCC(C)C)C(CCCN(CCC)C(=C)CCCCC)C(=C=CC)CCC
InChIInChI=1S/C29H53N/c1-9-14-15-19-26(8)30(23-12-4)24-16-20-29(28(17-10-2)18-11-3)27(13-5)22-21-25(6)7/h10,13,25,27,29H,5,8-9,11-12,14-16,18-24H2,1-4,6-7H3
InChIKeyPJYORTXYVLFEOG-UHFFFAOYSA-N
MW415.75 g/mol
LogP9.33
Rot. Bonds19

About 5-ethenyl-4-hepta-2,3-dien-4-yl-N-hept-1-en-2-yl-8-methyl-N-propylnonan-1-amine

5-ethenyl-4-hepta-2,3-dien-4-yl-N-hept-1-en-2-yl-8-methyl-N-propylnonan-1-amine (PubChem CID 146593464) has the molecular formula C29H53N and a molecular weight of 415.75 g/mol. Its IUPAC name is 5-ethenyl-4-hepta-2,3-dien-4-yl-N-hept-1-en-2-yl-8-methyl-N-propylnonan-1-amine.

Molecular Properties

Compound Name5-ethenyl-4-hepta-2,3-dien-4-yl-N-hept-1-en-2-yl-8-methyl-N-propylnonan-1-amine
PubChem CID146593464
Molecular FormulaC29H53N
Molecular Weight415.75 g/mol
Exact Mass415.42
IUPAC Name5-ethenyl-4-hepta-2,3-dien-4-yl-N-hept-1-en-2-yl-8-methyl-N-propylnonan-1-amine
SMILESC=CC(CCC(C)C)C(CCCN(CCC)C(=C)CCCCC)C(=C=CC)CCC
InChIInChI=1S/C29H53N/c1-9-14-15-19-26(8)30(23-12-4)24-16-20-29(28(17-10-2)18-11-3)27(13-5)22-21-25(6)7/h10,13,25,27,29H,5,8-9,11-12,14-16,18-24H2,1-4,6-7H3
InChIKeyPJYORTXYVLFEOG-UHFFFAOYSA-N
XLogP9.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.75
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-ethenyl-4-hepta-2,3-dien-4-yl-N-hept-1-en-2-yl-8-methyl-N-propylnonan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-hepta-2,3-dien-4-yl-N-hept-1-en-2-yl-8-methyl-N-propylnonan-1-amine?
The IUPAC name of 5-ethenyl-4-hepta-2,3-dien-4-yl-N-hept-1-en-2-yl-8-methyl-N-propylnonan-1-amine (CID 146593464) is 5-ethenyl-4-hepta-2,3-dien-4-yl-N-hept-1-en-2-yl-8-methyl-N-propylnonan-1-amine.
What is the SMILES notation for 5-ethenyl-4-hepta-2,3-dien-4-yl-N-hept-1-en-2-yl-8-methyl-N-propylnonan-1-amine?
The canonical SMILES for 5-ethenyl-4-hepta-2,3-dien-4-yl-N-hept-1-en-2-yl-8-methyl-N-propylnonan-1-amine is C=CC(CCC(C)C)C(CCCN(CCC)C(=C)CCCCC)C(=C=CC)CCC.
What is the InChIKey of 5-ethenyl-4-hepta-2,3-dien-4-yl-N-hept-1-en-2-yl-8-methyl-N-propylnonan-1-amine?
The InChIKey is PJYORTXYVLFEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H53N/c1-9-14-15-19-26(8)30(23-12-4)24-16-20-29(28(17-10-2)18-11-3)27(13-5)22-21-25(6)7/h10,13,25,27,29H,5,8-9,11-12,14-16,18-24H2,1-4,6-7H3.
What are the key properties of 5-ethenyl-4-hepta-2,3-dien-4-yl-N-hept-1-en-2-yl-8-methyl-N-propylnonan-1-amine?
5-ethenyl-4-hepta-2,3-dien-4-yl-N-hept-1-en-2-yl-8-methyl-N-propylnonan-1-amine has a molecular weight of 415.75 g/mol, XLogP of 9.33, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-hepta-2,3-dien-4-yl-N-hept-1-en-2-yl-8-methyl-N-propylnonan-1-amine is sourced from PubChem (CID 146593464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).