N-propylnonadec-10-en-3-amine

C22H45N — CID 54429388

IUPACN-propylnonadec-10-en-3-amine
SMILESCCCCCCCCC=CCCCCCCC(CC)NCCC
InChIInChI=1S/C22H45N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(6-3)23-21-5-2/h13-14,22-23H,4-12,15-21H2,1-3H3
InChIKeyLICCJHFQFBZQKU-UHFFFAOYSA-N
MW323.61 g/mol
LogP7.41
Rot. Bonds18

About N-propylnonadec-10-en-3-amine

N-propylnonadec-10-en-3-amine (PubChem CID 54429388) has the molecular formula C22H45N and a molecular weight of 323.61 g/mol. Its IUPAC name is N-propylnonadec-10-en-3-amine.

Molecular Properties

Compound NameN-propylnonadec-10-en-3-amine
PubChem CID54429388
Molecular FormulaC22H45N
Molecular Weight323.61 g/mol
Exact Mass323.36
IUPAC NameN-propylnonadec-10-en-3-amine
SMILESCCCCCCCCC=CCCCCCCC(CC)NCCC
InChIInChI=1S/C22H45N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(6-3)23-21-5-2/h13-14,22-23H,4-12,15-21H2,1-3H3
InChIKeyLICCJHFQFBZQKU-UHFFFAOYSA-N
XLogP7.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.61
LogP ≤ 57.41
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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Frequently Asked Questions

What is the IUPAC name of N-propylnonadec-10-en-3-amine?
The IUPAC name of N-propylnonadec-10-en-3-amine (CID 54429388) is N-propylnonadec-10-en-3-amine.
What is the SMILES notation for N-propylnonadec-10-en-3-amine?
The canonical SMILES for N-propylnonadec-10-en-3-amine is CCCCCCCCC=CCCCCCCC(CC)NCCC.
What is the InChIKey of N-propylnonadec-10-en-3-amine?
The InChIKey is LICCJHFQFBZQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(6-3)23-21-5-2/h13-14,22-23H,4-12,15-21H2,1-3H3.
What are the key properties of N-propylnonadec-10-en-3-amine?
N-propylnonadec-10-en-3-amine has a molecular weight of 323.61 g/mol, XLogP of 7.41, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylnonadec-10-en-3-amine is sourced from PubChem (CID 54429388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).