3-ethylnonadecan-3-amine

C21H45N — CID 19028625

IUPAC3-ethylnonadecan-3-amine
SMILESCCCCCCCCCCCCCCCCC(N)(CC)CC
InChIInChI=1S/C21H45N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22,5-2)6-3/h4-20,22H2,1-3H3
InChIKeyKUOPZFNOZQPOTH-UHFFFAOYSA-N
MW311.60 g/mol
LogP7.38
Rot. Bonds17

About 3-ethylnonadecan-3-amine

3-ethylnonadecan-3-amine (PubChem CID 19028625) has the molecular formula C21H45N and a molecular weight of 311.60 g/mol. Its IUPAC name is 3-ethylnonadecan-3-amine.

Molecular Properties

Compound Name3-ethylnonadecan-3-amine
PubChem CID19028625
Molecular FormulaC21H45N
Molecular Weight311.60 g/mol
Exact Mass311.36
IUPAC Name3-ethylnonadecan-3-amine
SMILESCCCCCCCCCCCCCCCCC(N)(CC)CC
InChIInChI=1S/C21H45N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22,5-2)6-3/h4-20,22H2,1-3H3
InChIKeyKUOPZFNOZQPOTH-UHFFFAOYSA-N
XLogP7.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.60
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethylnonadecan-3-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

3-ethyltetracosan-3-amine;hydrochloride
CID 173207893
3-ethyloctan-3-amine
CID 19350108
6-ethylundecan-6-amine
CID 173250227
11-decylhenicosan-11-amine
CID 19847882
3-ethylheptan-3-amine
CID 12708037
7-hexylpentadecan-7-amine;hydrochloride
CID 173241489
5-butylhexadecan-5-amine
CID 22244897
9-heptylheptadecan-9-amine;hydrochloride
CID 173435584
15-tetradecylnonacosan-15-amine;hydrochloride
CID 173325035
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185
12-undecyltricosan-12-amine;hydrate
CID 173445536
12-undecyltetracosan-12-amine;hydrochloride
CID 173403860

Frequently Asked Questions

What is the IUPAC name of 3-ethylnonadecan-3-amine?
The IUPAC name of 3-ethylnonadecan-3-amine (CID 19028625) is 3-ethylnonadecan-3-amine.
What is the SMILES notation for 3-ethylnonadecan-3-amine?
The canonical SMILES for 3-ethylnonadecan-3-amine is CCCCCCCCCCCCCCCCC(N)(CC)CC.
What is the InChIKey of 3-ethylnonadecan-3-amine?
The InChIKey is KUOPZFNOZQPOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22,5-2)6-3/h4-20,22H2,1-3H3.
What are the key properties of 3-ethylnonadecan-3-amine?
3-ethylnonadecan-3-amine has a molecular weight of 311.60 g/mol, XLogP of 7.38, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylnonadecan-3-amine is sourced from PubChem (CID 19028625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).