N-[2-(2-ethylcyclohexyl)ethyl]propan-2-amine

C13H27N — CID 63861330

IUPACN-[2-(2-ethylcyclohexyl)ethyl]propan-2-amine
SMILESCCC1CCCCC1CCNC(C)C
InChIInChI=1S/C13H27N/c1-4-12-7-5-6-8-13(12)9-10-14-11(2)3/h11-14H,4-10H2,1-3H3
InChIKeyMGKREVDIOZOMGZ-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds5

About N-[2-(2-ethylcyclohexyl)ethyl]propan-2-amine

N-[2-(2-ethylcyclohexyl)ethyl]propan-2-amine (PubChem CID 63861330) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-[2-(2-ethylcyclohexyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-ethylcyclohexyl)ethyl]propan-2-amine
PubChem CID63861330
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-[2-(2-ethylcyclohexyl)ethyl]propan-2-amine
SMILESCCC1CCCCC1CCNC(C)C
InChIInChI=1S/C13H27N/c1-4-12-7-5-6-8-13(12)9-10-14-11(2)3/h11-14H,4-10H2,1-3H3
InChIKeyMGKREVDIOZOMGZ-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

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Related Compounds

3-(2-ethylcyclohexyl)-N-propan-2-ylpropan-1-amine
CID 64502569
N-[(2-ethylcyclopentyl)methyl]propan-2-amine
CID 58787055
(1R)-1-ethyl-2-propylcyclohexane
CID 142312859
CID 160611346
CID 160611346
ethane;(2S)-1-ethyl-2-propylcyclohexane
CID 143012565
N-(2-cyclopentylethyl)propan-2-amine;molecular hydrogen
CID 165122655
2-(2-ethylcyclohexyl)-N-(2-methoxyethyl)ethanamine
CID 63861508
[(1S,2R)-2-ethylcyclohexyl]methanamine
CID 124508805
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine
CID 43163798
N-(2-cyclobutylethyl)propan-2-amine;molecular hydrogen
CID 171515150
2-(2-ethylcyclohexyl)oxy-N-propan-2-ylpropan-1-amine
CID 62444152
1-butyl-2-ethylcyclopentane
CID 522474

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylcyclohexyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(2-ethylcyclohexyl)ethyl]propan-2-amine (CID 63861330) is N-[2-(2-ethylcyclohexyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2-ethylcyclohexyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2-ethylcyclohexyl)ethyl]propan-2-amine is CCC1CCCCC1CCNC(C)C.
What is the InChIKey of N-[2-(2-ethylcyclohexyl)ethyl]propan-2-amine?
The InChIKey is MGKREVDIOZOMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-12-7-5-6-8-13(12)9-10-14-11(2)3/h11-14H,4-10H2,1-3H3.
What are the key properties of N-[2-(2-ethylcyclohexyl)ethyl]propan-2-amine?
N-[2-(2-ethylcyclohexyl)ethyl]propan-2-amine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylcyclohexyl)ethyl]propan-2-amine is sourced from PubChem (CID 63861330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).