2-hexyloctadecan-1-amine

C24H51N — CID 87546751

IUPAC2-hexyloctadecan-1-amine
SMILESCCCCCCCCCCCCCCCCC(CN)CCCCCC
InChIInChI=1S/C24H51N/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24(23-25)21-19-8-6-4-2/h24H,3-23,25H2,1-2H3
InChIKeyFWEMQGCSRNTDBP-UHFFFAOYSA-N
MW353.68 g/mol
LogP8.40
Rot. Bonds21

About 2-hexyloctadecan-1-amine

2-hexyloctadecan-1-amine (PubChem CID 87546751) has the molecular formula C24H51N and a molecular weight of 353.68 g/mol. Its IUPAC name is 2-hexyloctadecan-1-amine.

Molecular Properties

Compound Name2-hexyloctadecan-1-amine
PubChem CID87546751
Molecular FormulaC24H51N
Molecular Weight353.68 g/mol
Exact Mass353.40
IUPAC Name2-hexyloctadecan-1-amine
SMILESCCCCCCCCCCCCCCCCC(CN)CCCCCC
InChIInChI=1S/C24H51N/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24(23-25)21-19-8-6-4-2/h24H,3-23,25H2,1-2H3
InChIKeyFWEMQGCSRNTDBP-UHFFFAOYSA-N
XLogP8.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.68
LogP ≤ 58.40
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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Related Compounds

(2S)-2-hexyldecan-1-amine
CID 129368307
2-dodecylhexadecan-1-amine
CID 23048605
2-propylheptan-1-amine
CID 21267775
2-butylhexan-1-amine
CID 54041151
2-(fluoromethyl)henicosan-1-amine
CID 175054402
2-(2-methylpropyl)decan-1-amine
CID 63498111
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478
13-pentylheptacosane
CID 91387927

Frequently Asked Questions

What is the IUPAC name of 2-hexyloctadecan-1-amine?
The IUPAC name of 2-hexyloctadecan-1-amine (CID 87546751) is 2-hexyloctadecan-1-amine.
What is the SMILES notation for 2-hexyloctadecan-1-amine?
The canonical SMILES for 2-hexyloctadecan-1-amine is CCCCCCCCCCCCCCCCC(CN)CCCCCC.
What is the InChIKey of 2-hexyloctadecan-1-amine?
The InChIKey is FWEMQGCSRNTDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24(23-25)21-19-8-6-4-2/h24H,3-23,25H2,1-2H3.
What are the key properties of 2-hexyloctadecan-1-amine?
2-hexyloctadecan-1-amine has a molecular weight of 353.68 g/mol, XLogP of 8.40, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyloctadecan-1-amine is sourced from PubChem (CID 87546751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).