2-cyclopropyl-N,2-diethylhexan-1-amine

C13H27N — CID 104819380

IUPAC2-cyclopropyl-N,2-diethylhexan-1-amine
SMILESCCCCC(CC)(CNCC)C1CC1
InChIInChI=1S/C13H27N/c1-4-7-10-13(5-2,11-14-6-3)12-8-9-12/h12,14H,4-11H2,1-3H3
InChIKeyADUJGNULUPIZAM-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds8

About 2-cyclopropyl-N,2-diethylhexan-1-amine

2-cyclopropyl-N,2-diethylhexan-1-amine (PubChem CID 104819380) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2-cyclopropyl-N,2-diethylhexan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N,2-diethylhexan-1-amine
PubChem CID104819380
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2-cyclopropyl-N,2-diethylhexan-1-amine
SMILESCCCCC(CC)(CNCC)C1CC1
InChIInChI=1S/C13H27N/c1-4-7-10-13(5-2,11-14-6-3)12-8-9-12/h12,14H,4-11H2,1-3H3
InChIKeyADUJGNULUPIZAM-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-cyclopropyl-N,2-diethylhexan-1-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

2-cyclopropyl-N,2-diethylbutan-1-amine
CID 104819388
2-cyclopropyl-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 104819386
2-cyclopropyl-2-ethyl-N-propylbutan-1-amine
CID 104819389
3-ethylpentan-3-ylcyclopropane
CID 91066295
3-(chloromethyl)heptan-3-ylcycloheptane
CID 82945588
2-(cyclopentylmethyl)-N-ethyl-2-methylpentan-1-amine
CID 63507341
2-cyclopropyl-N-ethyl-5-methoxy-2-methylpentan-1-amine
CID 83159680
2-cyclopentyl-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 82933697
N-ethyl-2-methyl-2-propylnonan-1-amine
CID 63509075
2-cyclopropyl-N-ethyl-6-methoxy-2-methylhexan-1-amine
CID 104649541
[1-bromo-2-(bromomethyl)heptan-2-yl]cyclopentane
CID 112571210
2-cyclopropyl-N-ethyl-2,3-dimethylbut-3-en-1-amine
CID 163836835

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N,2-diethylhexan-1-amine?
The IUPAC name of 2-cyclopropyl-N,2-diethylhexan-1-amine (CID 104819380) is 2-cyclopropyl-N,2-diethylhexan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N,2-diethylhexan-1-amine?
The canonical SMILES for 2-cyclopropyl-N,2-diethylhexan-1-amine is CCCCC(CC)(CNCC)C1CC1.
What is the InChIKey of 2-cyclopropyl-N,2-diethylhexan-1-amine?
The InChIKey is ADUJGNULUPIZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-7-10-13(5-2,11-14-6-3)12-8-9-12/h12,14H,4-11H2,1-3H3.
What are the key properties of 2-cyclopropyl-N,2-diethylhexan-1-amine?
2-cyclopropyl-N,2-diethylhexan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N,2-diethylhexan-1-amine is sourced from PubChem (CID 104819380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).