N-butyl-N-oct-1-enyloctan-1-amine

C20H41N — CID 139766519

IUPACN-butyl-N-oct-1-enyloctan-1-amine
SMILESCCCCCCC=CN(CCCC)CCCCCCCC
InChIInChI=1S/C20H41N/c1-4-7-10-12-14-16-19-21(18-9-6-3)20-17-15-13-11-8-5-2/h16,19H,4-15,17-18,20H2,1-3H3
InChIKeyVVIKXPYRVWOUNY-UHFFFAOYSA-N
MW295.56 g/mol
LogP6.93
Rot. Bonds16

About N-butyl-N-oct-1-enyloctan-1-amine

N-butyl-N-oct-1-enyloctan-1-amine (PubChem CID 139766519) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is N-butyl-N-oct-1-enyloctan-1-amine.

Molecular Properties

Compound NameN-butyl-N-oct-1-enyloctan-1-amine
PubChem CID139766519
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC NameN-butyl-N-oct-1-enyloctan-1-amine
SMILESCCCCCCC=CN(CCCC)CCCCCCCC
InChIInChI=1S/C20H41N/c1-4-7-10-12-14-16-19-21(18-9-6-3)20-17-15-13-11-8-5-2/h16,19H,4-15,17-18,20H2,1-3H3
InChIKeyVVIKXPYRVWOUNY-UHFFFAOYSA-N
XLogP6.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-hex-1-enyl-N-hexylhexan-1-amine
CID 54411369
N,N-diethyltetradec-1-en-1-amine
CID 54402906
N-but-1-enyl-N-octyldodec-1-en-1-amine
CID 139766615
N-but-1-enyl-N-oct-1-enyloctadecan-1-amine
CID 139766532
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
(Z)-N,N-bis[(Z)-docos-13-enyl]docos-13-en-1-amine
CID 87119903
(E)-N,N-dimethylhexadec-10-en-1-amine
CID 102116363
N,N-dimethyltetradec-1-en-1-amine;propane
CID 173220262
N,N-dimethylhexadec-7-en-1-amine
CID 3085374
(Z)-N,N-dimethylhenicos-12-en-1-amine
CID 173308130

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-oct-1-enyloctan-1-amine?
The IUPAC name of N-butyl-N-oct-1-enyloctan-1-amine (CID 139766519) is N-butyl-N-oct-1-enyloctan-1-amine.
What is the SMILES notation for N-butyl-N-oct-1-enyloctan-1-amine?
The canonical SMILES for N-butyl-N-oct-1-enyloctan-1-amine is CCCCCCC=CN(CCCC)CCCCCCCC.
What is the InChIKey of N-butyl-N-oct-1-enyloctan-1-amine?
The InChIKey is VVIKXPYRVWOUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-4-7-10-12-14-16-19-21(18-9-6-3)20-17-15-13-11-8-5-2/h16,19H,4-15,17-18,20H2,1-3H3.
What are the key properties of N-butyl-N-oct-1-enyloctan-1-amine?
N-butyl-N-oct-1-enyloctan-1-amine has a molecular weight of 295.56 g/mol, XLogP of 6.93, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-oct-1-enyloctan-1-amine is sourced from PubChem (CID 139766519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).