N,N-bis(but-1-enyl)octadec-1-en-1-amine

C26H49N — CID 139766666

IUPACN,N-bis(but-1-enyl)octadec-1-en-1-amine
SMILESCCC=CN(C=CCC)C=CCCCCCCCCCCCCCCCC
InChIInChI=1S/C26H49N/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-27(24-8-5-2)25-9-6-3/h8-9,23-26H,4-7,10-22H2,1-3H3
InChIKeyFMFRQQZXWRXPQV-UHFFFAOYSA-N
MW375.69 g/mol
LogP9.52
Rot. Bonds20

About N,N-bis(but-1-enyl)octadec-1-en-1-amine

N,N-bis(but-1-enyl)octadec-1-en-1-amine (PubChem CID 139766666) has the molecular formula C26H49N and a molecular weight of 375.69 g/mol. Its IUPAC name is N,N-bis(but-1-enyl)octadec-1-en-1-amine.

Molecular Properties

Compound NameN,N-bis(but-1-enyl)octadec-1-en-1-amine
PubChem CID139766666
Molecular FormulaC26H49N
Molecular Weight375.69 g/mol
Exact Mass375.39
IUPAC NameN,N-bis(but-1-enyl)octadec-1-en-1-amine
SMILESCCC=CN(C=CCC)C=CCCCCCCCCCCCCCCCC
InChIInChI=1S/C26H49N/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-27(24-8-5-2)25-9-6-3/h8-9,23-26H,4-7,10-22H2,1-3H3
InChIKeyFMFRQQZXWRXPQV-UHFFFAOYSA-N
XLogP9.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.69
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-bis(but-1-enyl)octadec-1-en-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

Related Compounds

N-but-1-enyl-N-octyldodec-1-en-1-amine
CID 139766615
N-but-1-enyl-N-oct-1-enyloctadecan-1-amine
CID 139766532
octacos-3-ene
CID 54171253
(E)-nonacos-3-ene
CID 22172230
(3Z,11Z)-heptadeca-3,11-diene
CID 91750518
(Z)-tridec-3-ene
CID 5362711
(E)-octadec-3-ene
CID 5365984
(E)-heptadec-3-ene
CID 5352250
(3E,13E)-nonadeca-3,13-diene
CID 141029609
N-methyl-N-oct-1-enyloct-1-en-1-amine
CID 74019016
(E)-N,N-dimethylpentadec-1-en-1-amine
CID 22930940
N,N-dimethyloct-1-en-1-amine
CID 54004302

Frequently Asked Questions

What is the IUPAC name of N,N-bis(but-1-enyl)octadec-1-en-1-amine?
The IUPAC name of N,N-bis(but-1-enyl)octadec-1-en-1-amine (CID 139766666) is N,N-bis(but-1-enyl)octadec-1-en-1-amine.
What is the SMILES notation for N,N-bis(but-1-enyl)octadec-1-en-1-amine?
The canonical SMILES for N,N-bis(but-1-enyl)octadec-1-en-1-amine is CCC=CN(C=CCC)C=CCCCCCCCCCCCCCCCC.
What is the InChIKey of N,N-bis(but-1-enyl)octadec-1-en-1-amine?
The InChIKey is FMFRQQZXWRXPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49N/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-27(24-8-5-2)25-9-6-3/h8-9,23-26H,4-7,10-22H2,1-3H3.
What are the key properties of N,N-bis(but-1-enyl)octadec-1-en-1-amine?
N,N-bis(but-1-enyl)octadec-1-en-1-amine has a molecular weight of 375.69 g/mol, XLogP of 9.52, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(but-1-enyl)octadec-1-en-1-amine is sourced from PubChem (CID 139766666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).