5-hexyldodecan-1-amine

C18H39N — CID 129015386

IUPAC5-hexyldodecan-1-amine
SMILESCCCCCCCC(CCCCN)CCCCCC
InChIInChI=1S/C18H39N/c1-3-5-7-9-11-15-18(16-12-13-17-19)14-10-8-6-4-2/h18H,3-17,19H2,1-2H3
InChIKeyJYSDQFLEEMYEAL-UHFFFAOYSA-N
MW269.52 g/mol
LogP6.06
Rot. Bonds15

About 5-hexyldodecan-1-amine

5-hexyldodecan-1-amine (PubChem CID 129015386) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is 5-hexyldodecan-1-amine.

Molecular Properties

Compound Name5-hexyldodecan-1-amine
PubChem CID129015386
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC Name5-hexyldodecan-1-amine
SMILESCCCCCCCC(CCCCN)CCCCCC
InChIInChI=1S/C18H39N/c1-3-5-7-9-11-15-18(16-12-13-17-19)14-10-8-6-4-2/h18H,3-17,19H2,1-2H3
InChIKeyJYSDQFLEEMYEAL-UHFFFAOYSA-N
XLogP6.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 56.06
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-hexylundecan-1-amine
CID 167174040
4-heptylundecan-1-amine
CID 146490531
3-octadecyldocosan-1-amine
CID 175605892
5-[4-(tridecylamino)butyl]undecane-1,11-diamine
CID 139942223
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478
11-pentylheptacosane
CID 91575569
13-pentylheptacosane
CID 91387927
10-octylicosane
CID 20514731

Frequently Asked Questions

What is the IUPAC name of 5-hexyldodecan-1-amine?
The IUPAC name of 5-hexyldodecan-1-amine (CID 129015386) is 5-hexyldodecan-1-amine.
What is the SMILES notation for 5-hexyldodecan-1-amine?
The canonical SMILES for 5-hexyldodecan-1-amine is CCCCCCCC(CCCCN)CCCCCC.
What is the InChIKey of 5-hexyldodecan-1-amine?
The InChIKey is JYSDQFLEEMYEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-3-5-7-9-11-15-18(16-12-13-17-19)14-10-8-6-4-2/h18H,3-17,19H2,1-2H3.
What are the key properties of 5-hexyldodecan-1-amine?
5-hexyldodecan-1-amine has a molecular weight of 269.52 g/mol, XLogP of 6.06, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyldodecan-1-amine is sourced from PubChem (CID 129015386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).