N-ethyldecan-5-amine

C12H27N — CID 79405026

IUPACN-ethyldecan-5-amine
SMILESCCCCCC(CCCC)NCC
InChIInChI=1S/C12H27N/c1-4-7-9-11-12(13-6-3)10-8-5-2/h12-13H,4-11H2,1-3H3
InChIKeyOLKISAJEAYBBTO-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.73
Rot. Bonds9

About N-ethyldecan-5-amine

N-ethyldecan-5-amine (PubChem CID 79405026) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N-ethyldecan-5-amine.

Molecular Properties

Compound NameN-ethyldecan-5-amine
PubChem CID79405026
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN-ethyldecan-5-amine
SMILESCCCCCC(CCCC)NCC
InChIInChI=1S/C12H27N/c1-4-7-9-11-12(13-6-3)10-8-5-2/h12-13H,4-11H2,1-3H3
InChIKeyOLKISAJEAYBBTO-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyldecan-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyltetradecan-7-amine
CID 87847195
N-ethylhexadecan-4-amine
CID 63413885
N-ethylnonan-3-amine
CID 60996683
1-N,4-N-diethylnonane-1,4-diamine
CID 126574797
N-ethyl-2-methylheptadecan-6-amine
CID 105028964
2-(ethylamino)nonan-1-ol
CID 61050713
N-ethyldecan-3-amine;dihydrochloride
CID 175708733
3-N-ethyl-1-N,1-N-dimethyloctane-1,3-diamine
CID 115346552
1-ethoxy-N-ethylundecan-4-amine
CID 105124652
N-ethyl-1-methoxypentadecan-4-amine
CID 105055072
N-ethyl-2-methyldodecan-4-amine
CID 63412709
N-ethyl-1,1,1-trifluorooctan-4-amine
CID 79404596

Frequently Asked Questions

What is the IUPAC name of N-ethyldecan-5-amine?
The IUPAC name of N-ethyldecan-5-amine (CID 79405026) is N-ethyldecan-5-amine.
What is the SMILES notation for N-ethyldecan-5-amine?
The canonical SMILES for N-ethyldecan-5-amine is CCCCCC(CCCC)NCC.
What is the InChIKey of N-ethyldecan-5-amine?
The InChIKey is OLKISAJEAYBBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-4-7-9-11-12(13-6-3)10-8-5-2/h12-13H,4-11H2,1-3H3.
What are the key properties of N-ethyldecan-5-amine?
N-ethyldecan-5-amine has a molecular weight of 185.35 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyldecan-5-amine is sourced from PubChem (CID 79405026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).