12-ethyltetradecan-1-amine

C16H35N — CID 87456130

IUPAC12-ethyltetradecan-1-amine
SMILESCCC(CC)CCCCCCCCCCCN
InChIInChI=1S/C16H35N/c1-3-16(4-2)14-12-10-8-6-5-7-9-11-13-15-17/h16H,3-15,17H2,1-2H3
InChIKeyKPVMVJXYXFUVLR-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.28
Rot. Bonds13

About 12-ethyltetradecan-1-amine

12-ethyltetradecan-1-amine (PubChem CID 87456130) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is 12-ethyltetradecan-1-amine.

Molecular Properties

Compound Name12-ethyltetradecan-1-amine
PubChem CID87456130
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Name12-ethyltetradecan-1-amine
SMILESCCC(CC)CCCCCCCCCCCN
InChIInChI=1S/C16H35N/c1-3-16(4-2)14-12-10-8-6-5-7-9-11-13-15-17/h16H,3-15,17H2,1-2H3
InChIKeyKPVMVJXYXFUVLR-UHFFFAOYSA-N
XLogP5.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.28
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

2-ethylundecane-1,11-diamine
CID 118354607
3-(6-ethyloctoxy)propan-1-amine
CID 174834787
5-hexyldodecan-1-amine
CID 129015386
7-ethyl-9-methylsulfanylnonan-1-amine
CID 153391271
(3R)-3-ethylnonan-1-amine
CID 163925868
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487
4-hexylundecan-1-amine
CID 167174040
4-heptylundecan-1-amine
CID 146490531
3,7-diethylnonane
CID 22089120
ethane;3-ethylundecane
CID 144815521
(Z)-5-ethylundec-7-en-1-amine
CID 167138520

Frequently Asked Questions

What is the IUPAC name of 12-ethyltetradecan-1-amine?
The IUPAC name of 12-ethyltetradecan-1-amine (CID 87456130) is 12-ethyltetradecan-1-amine.
What is the SMILES notation for 12-ethyltetradecan-1-amine?
The canonical SMILES for 12-ethyltetradecan-1-amine is CCC(CC)CCCCCCCCCCCN.
What is the InChIKey of 12-ethyltetradecan-1-amine?
The InChIKey is KPVMVJXYXFUVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-3-16(4-2)14-12-10-8-6-5-7-9-11-13-15-17/h16H,3-15,17H2,1-2H3.
What are the key properties of 12-ethyltetradecan-1-amine?
12-ethyltetradecan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 5.28, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethyltetradecan-1-amine is sourced from PubChem (CID 87456130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).