4-hexylundecan-1-amine

C17H37N — CID 167174040

IUPAC4-hexylundecan-1-amine
SMILESCCCCCCCC(CCCN)CCCCCC
InChIInChI=1S/C17H37N/c1-3-5-7-9-11-14-17(15-12-16-18)13-10-8-6-4-2/h17H,3-16,18H2,1-2H3
InChIKeyRMXAPPOOWQWUOP-UHFFFAOYSA-N
MW255.49 g/mol
LogP5.67
Rot. Bonds14

About 4-hexylundecan-1-amine

4-hexylundecan-1-amine (PubChem CID 167174040) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is 4-hexylundecan-1-amine.

Molecular Properties

Compound Name4-hexylundecan-1-amine
PubChem CID167174040
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC Name4-hexylundecan-1-amine
SMILESCCCCCCCC(CCCN)CCCCCC
InChIInChI=1S/C17H37N/c1-3-5-7-9-11-14-17(15-12-16-18)13-10-8-6-4-2/h17H,3-16,18H2,1-2H3
InChIKeyRMXAPPOOWQWUOP-UHFFFAOYSA-N
XLogP5.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 55.67
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

4-heptylundecan-1-amine
CID 146490531
5-hexyldodecan-1-amine
CID 129015386
3-octadecyldocosan-1-amine
CID 175605892
11-pentylheptacosane
CID 91575569
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023
17-pentylhexatriacontane
CID 91327833
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478
6-pentyldocosane
CID 90762104

Frequently Asked Questions

What is the IUPAC name of 4-hexylundecan-1-amine?
The IUPAC name of 4-hexylundecan-1-amine (CID 167174040) is 4-hexylundecan-1-amine.
What is the SMILES notation for 4-hexylundecan-1-amine?
The canonical SMILES for 4-hexylundecan-1-amine is CCCCCCCC(CCCN)CCCCCC.
What is the InChIKey of 4-hexylundecan-1-amine?
The InChIKey is RMXAPPOOWQWUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N/c1-3-5-7-9-11-14-17(15-12-16-18)13-10-8-6-4-2/h17H,3-16,18H2,1-2H3.
What are the key properties of 4-hexylundecan-1-amine?
4-hexylundecan-1-amine has a molecular weight of 255.49 g/mol, XLogP of 5.67, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexylundecan-1-amine is sourced from PubChem (CID 167174040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).