N-but-1-enyl-N-oct-1-enyloctadecan-1-amine

C30H59N — CID 139766532

IUPACN-but-1-enyl-N-oct-1-enyloctadecan-1-amine
SMILESCCC=CN(C=CCCCCCC)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C30H59N/c1-4-7-10-12-14-15-16-17-18-19-20-21-22-23-25-27-30-31(28-9-6-3)29-26-24-13-11-8-5-2/h9,26,28-29H,4-8,10-25,27,30H2,1-3H3
InChIKeyGCVISCVPSRQDKU-UHFFFAOYSA-N
MW433.81 g/mol
LogP10.96
Rot. Bonds25

About N-but-1-enyl-N-oct-1-enyloctadecan-1-amine

N-but-1-enyl-N-oct-1-enyloctadecan-1-amine (PubChem CID 139766532) has the molecular formula C30H59N and a molecular weight of 433.81 g/mol. Its IUPAC name is N-but-1-enyl-N-oct-1-enyloctadecan-1-amine.

Molecular Properties

Compound NameN-but-1-enyl-N-oct-1-enyloctadecan-1-amine
PubChem CID139766532
Molecular FormulaC30H59N
Molecular Weight433.81 g/mol
Exact Mass433.46
IUPAC NameN-but-1-enyl-N-oct-1-enyloctadecan-1-amine
SMILESCCC=CN(C=CCCCCCC)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C30H59N/c1-4-7-10-12-14-15-16-17-18-19-20-21-22-23-25-27-30-31(28-9-6-3)29-26-24-13-11-8-5-2/h9,26,28-29H,4-8,10-25,27,30H2,1-3H3
InChIKeyGCVISCVPSRQDKU-UHFFFAOYSA-N
XLogP10.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.81
LogP ≤ 510.96
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-but-1-enyl-N-octyldodec-1-en-1-amine
CID 139766615
N,N-bis(but-1-enyl)butan-1-amine
CID 73433209
N,N-bis(but-1-enyl)octadec-1-en-1-amine
CID 139766666
N-butyl-N-oct-1-enyloctan-1-amine
CID 139766519
octacos-3-ene
CID 54171253
(3Z,11Z)-heptadeca-3,11-diene
CID 91750518
(E)-nonacos-3-ene
CID 22172230
(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-hex-1-enyl-N-hexylhexan-1-amine
CID 54411369

Frequently Asked Questions

What is the IUPAC name of N-but-1-enyl-N-oct-1-enyloctadecan-1-amine?
The IUPAC name of N-but-1-enyl-N-oct-1-enyloctadecan-1-amine (CID 139766532) is N-but-1-enyl-N-oct-1-enyloctadecan-1-amine.
What is the SMILES notation for N-but-1-enyl-N-oct-1-enyloctadecan-1-amine?
The canonical SMILES for N-but-1-enyl-N-oct-1-enyloctadecan-1-amine is CCC=CN(C=CCCCCCC)CCCCCCCCCCCCCCCCCC.
What is the InChIKey of N-but-1-enyl-N-oct-1-enyloctadecan-1-amine?
The InChIKey is GCVISCVPSRQDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H59N/c1-4-7-10-12-14-15-16-17-18-19-20-21-22-23-25-27-30-31(28-9-6-3)29-26-24-13-11-8-5-2/h9,26,28-29H,4-8,10-25,27,30H2,1-3H3.
What are the key properties of N-but-1-enyl-N-oct-1-enyloctadecan-1-amine?
N-but-1-enyl-N-oct-1-enyloctadecan-1-amine has a molecular weight of 433.81 g/mol, XLogP of 10.96, 25 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-enyl-N-oct-1-enyloctadecan-1-amine is sourced from PubChem (CID 139766532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).