1-cyclopropyl-N-ethyltridecan-2-amine

C18H37N — CID 104986536

IUPAC1-cyclopropyl-N-ethyltridecan-2-amine
SMILESCCCCCCCCCCCC(CC1CC1)NCC
InChIInChI=1S/C18H37N/c1-3-5-6-7-8-9-10-11-12-13-18(19-4-2)16-17-14-15-17/h17-19H,3-16H2,1-2H3
InChIKeyQRKVBWDWFPEPJD-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.69
Rot. Bonds14

About 1-cyclopropyl-N-ethyltridecan-2-amine

1-cyclopropyl-N-ethyltridecan-2-amine (PubChem CID 104986536) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyltridecan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyltridecan-2-amine
PubChem CID104986536
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name1-cyclopropyl-N-ethyltridecan-2-amine
SMILESCCCCCCCCCCCC(CC1CC1)NCC
InChIInChI=1S/C18H37N/c1-3-5-6-7-8-9-10-11-12-13-18(19-4-2)16-17-14-15-17/h17-19H,3-16H2,1-2H3
InChIKeyQRKVBWDWFPEPJD-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-N-ethyltridecan-2-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

1-cyclohexyl-N-ethylheptan-2-amine
CID 115837188
N-ethyl-1-(thian-4-yl)nonan-2-amine
CID 105125122
N-ethyl-1-(oxolan-3-yl)decan-2-amine
CID 103987183
N-ethyl-1-(oxolan-3-yl)dodecan-2-amine
CID 103987333
1-(3-ethoxycyclobutyl)-N-ethylheptan-2-amine
CID 103168427
1-cyclopropyloctan-2-ylhydrazine
CID 105254153
1-cyclopentyl-N-propyldodecan-2-amine
CID 115845917
N-ethylhexadecan-4-amine
CID 63413885
N-ethyltetradecan-7-amine
CID 87847195
1-cyclopropyl-N-ethyl-5-methylhexan-2-amine
CID 64906798
1-cyclobutyl-N-methylnonan-2-amine
CID 115863864
1-cyclohexyl-N-ethylnon-8-en-2-amine
CID 107011937

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyltridecan-2-amine?
The IUPAC name of 1-cyclopropyl-N-ethyltridecan-2-amine (CID 104986536) is 1-cyclopropyl-N-ethyltridecan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-ethyltridecan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-ethyltridecan-2-amine is CCCCCCCCCCCC(CC1CC1)NCC.
What is the InChIKey of 1-cyclopropyl-N-ethyltridecan-2-amine?
The InChIKey is QRKVBWDWFPEPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-3-5-6-7-8-9-10-11-12-13-18(19-4-2)16-17-14-15-17/h17-19H,3-16H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-ethyltridecan-2-amine?
1-cyclopropyl-N-ethyltridecan-2-amine has a molecular weight of 267.50 g/mol, XLogP of 5.69, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyltridecan-2-amine is sourced from PubChem (CID 104986536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).