N-pent-1-en-2-yloctadecan-1-amine

C23H47N — CID 90124899

IUPACN-pent-1-en-2-yloctadecan-1-amine
SMILESC=C(CCC)NCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C23H47N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24-23(3)21-5-2/h24H,3-22H2,1-2H3
InChIKeyNHNAQUDCCSXWRP-UHFFFAOYSA-N
MW337.64 g/mol
LogP8.15
Rot. Bonds20

About N-pent-1-en-2-yloctadecan-1-amine

N-pent-1-en-2-yloctadecan-1-amine (PubChem CID 90124899) has the molecular formula C23H47N and a molecular weight of 337.64 g/mol. Its IUPAC name is N-pent-1-en-2-yloctadecan-1-amine.

Molecular Properties

Compound NameN-pent-1-en-2-yloctadecan-1-amine
PubChem CID90124899
Molecular FormulaC23H47N
Molecular Weight337.64 g/mol
Exact Mass337.37
IUPAC NameN-pent-1-en-2-yloctadecan-1-amine
SMILESC=C(CCC)NCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C23H47N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24-23(3)21-5-2/h24H,3-22H2,1-2H3
InChIKeyNHNAQUDCCSXWRP-UHFFFAOYSA-N
XLogP8.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.64
LogP ≤ 58.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-pent-1-en-2-yloctadecan-1-amine?
The IUPAC name of N-pent-1-en-2-yloctadecan-1-amine (CID 90124899) is N-pent-1-en-2-yloctadecan-1-amine.
What is the SMILES notation for N-pent-1-en-2-yloctadecan-1-amine?
The canonical SMILES for N-pent-1-en-2-yloctadecan-1-amine is C=C(CCC)NCCCCCCCCCCCCCCCCCC.
What is the InChIKey of N-pent-1-en-2-yloctadecan-1-amine?
The InChIKey is NHNAQUDCCSXWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24-23(3)21-5-2/h24H,3-22H2,1-2H3.
What are the key properties of N-pent-1-en-2-yloctadecan-1-amine?
N-pent-1-en-2-yloctadecan-1-amine has a molecular weight of 337.64 g/mol, XLogP of 8.15, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-1-en-2-yloctadecan-1-amine is sourced from PubChem (CID 90124899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).