N-hex-1-enyl-N-hexylhexan-1-amine

C18H37N — CID 54411369

IUPACN-hex-1-enyl-N-hexylhexan-1-amine
SMILESCCCCC=CN(CCCCCC)CCCCCC
InChIInChI=1S/C18H37N/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h13,16H,4-12,14-15,17-18H2,1-3H3
InChIKeyVUJNISDCVZLFMK-UHFFFAOYSA-N
MW267.50 g/mol
LogP6.15
Rot. Bonds14

About N-hex-1-enyl-N-hexylhexan-1-amine

N-hex-1-enyl-N-hexylhexan-1-amine (PubChem CID 54411369) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N-hex-1-enyl-N-hexylhexan-1-amine.

Molecular Properties

Compound NameN-hex-1-enyl-N-hexylhexan-1-amine
PubChem CID54411369
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN-hex-1-enyl-N-hexylhexan-1-amine
SMILESCCCCC=CN(CCCCCC)CCCCCC
InChIInChI=1S/C18H37N/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h13,16H,4-12,14-15,17-18H2,1-3H3
InChIKeyVUJNISDCVZLFMK-UHFFFAOYSA-N
XLogP6.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 56.15
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-butyl-N-oct-1-enyloctan-1-amine
CID 139766519
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
docos-5-ene
CID 54227700
nonadec-5-ene
CID 543596
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)-3-(dioctylamino)prop-2-enal
CID 134949607
N,N-dipropylpent-1-en-1-amine
CID 71318717

Frequently Asked Questions

What is the IUPAC name of N-hex-1-enyl-N-hexylhexan-1-amine?
The IUPAC name of N-hex-1-enyl-N-hexylhexan-1-amine (CID 54411369) is N-hex-1-enyl-N-hexylhexan-1-amine.
What is the SMILES notation for N-hex-1-enyl-N-hexylhexan-1-amine?
The canonical SMILES for N-hex-1-enyl-N-hexylhexan-1-amine is CCCCC=CN(CCCCCC)CCCCCC.
What is the InChIKey of N-hex-1-enyl-N-hexylhexan-1-amine?
The InChIKey is VUJNISDCVZLFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h13,16H,4-12,14-15,17-18H2,1-3H3.
What are the key properties of N-hex-1-enyl-N-hexylhexan-1-amine?
N-hex-1-enyl-N-hexylhexan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 6.15, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-enyl-N-hexylhexan-1-amine is sourced from PubChem (CID 54411369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).