N-pent-4-enylnonadec-1-en-2-amine

C24H47N — CID 129262643

IUPACN-pent-4-enylnonadec-1-en-2-amine
SMILESC=CCCCNC(=C)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C24H47N/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24(3)25-23-21-7-5-2/h5,25H,2-4,6-23H2,1H3
InChIKeyFNXPHXMCHQMCPO-UHFFFAOYSA-N
MW349.65 g/mol
LogP8.32
Rot. Bonds21

About N-pent-4-enylnonadec-1-en-2-amine

N-pent-4-enylnonadec-1-en-2-amine (PubChem CID 129262643) has the molecular formula C24H47N and a molecular weight of 349.65 g/mol. Its IUPAC name is N-pent-4-enylnonadec-1-en-2-amine.

Molecular Properties

Compound NameN-pent-4-enylnonadec-1-en-2-amine
PubChem CID129262643
Molecular FormulaC24H47N
Molecular Weight349.65 g/mol
Exact Mass349.37
IUPAC NameN-pent-4-enylnonadec-1-en-2-amine
SMILESC=CCCCNC(=C)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C24H47N/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24(3)25-23-21-7-5-2/h5,25H,2-4,6-23H2,1H3
InChIKeyFNXPHXMCHQMCPO-UHFFFAOYSA-N
XLogP8.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.65
LogP ≤ 58.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-hexyloct-1-en-2-amine
CID 169110016
N-butylhept-1-en-2-amine
CID 170620308
N-(4-methylidenehexyl)hept-1-en-2-amine
CID 167138556
N-hept-1-en-2-yl-6-methylheptan-1-amine
CID 155148528
1-oct-7-enyl-3-octylthiourea
CID 23466616
N-pent-4-enyloctan-1-amine
CID 79006791
N-(2-methylidenepent-4-enyl)hept-1-en-2-amine
CID 167240610
8-methylidenedodec-1-ene
CID 169088157
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514

Frequently Asked Questions

What is the IUPAC name of N-pent-4-enylnonadec-1-en-2-amine?
The IUPAC name of N-pent-4-enylnonadec-1-en-2-amine (CID 129262643) is N-pent-4-enylnonadec-1-en-2-amine.
What is the SMILES notation for N-pent-4-enylnonadec-1-en-2-amine?
The canonical SMILES for N-pent-4-enylnonadec-1-en-2-amine is C=CCCCNC(=C)CCCCCCCCCCCCCCCCC.
What is the InChIKey of N-pent-4-enylnonadec-1-en-2-amine?
The InChIKey is FNXPHXMCHQMCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47N/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24(3)25-23-21-7-5-2/h5,25H,2-4,6-23H2,1H3.
What are the key properties of N-pent-4-enylnonadec-1-en-2-amine?
N-pent-4-enylnonadec-1-en-2-amine has a molecular weight of 349.65 g/mol, XLogP of 8.32, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-enylnonadec-1-en-2-amine is sourced from PubChem (CID 129262643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).