N-ethyl-3-pentan-2-ylcyclohexan-1-amine

C13H27N — CID 107888160

IUPACN-ethyl-3-pentan-2-ylcyclohexan-1-amine
SMILESCCCC(C)C1CCCC(NCC)C1
InChIInChI=1S/C13H27N/c1-4-7-11(3)12-8-6-9-13(10-12)14-5-2/h11-14H,4-10H2,1-3H3
InChIKeyPJKRSGVHWFZYFN-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds5

About N-ethyl-3-pentan-2-ylcyclohexan-1-amine

N-ethyl-3-pentan-2-ylcyclohexan-1-amine (PubChem CID 107888160) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-ethyl-3-pentan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-pentan-2-ylcyclohexan-1-amine
PubChem CID107888160
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-ethyl-3-pentan-2-ylcyclohexan-1-amine
SMILESCCCC(C)C1CCCC(NCC)C1
InChIInChI=1S/C13H27N/c1-4-7-11(3)12-8-6-9-13(10-12)14-5-2/h11-14H,4-10H2,1-3H3
InChIKeyPJKRSGVHWFZYFN-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

N-methyl-3-pentan-2-ylcyclohexan-1-amine
CID 107888158
cis-(1R,2R)-1-methyl-2-pentan-2-ylcyclopentane
CID 54158802
butane;pentan-2-ylcyclohexane
CID 143682251
ethane;pentan-2-ylcyclohexane
CID 143225886
N-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine
CID 107447751
2-pentan-2-yl-N-propylcyclohexan-1-amine
CID 107886768
N-pentyl-3-propan-2-ylcyclohexan-1-amine
CID 107447748
1,2-di(pentan-2-yl)cyclopropane
CID 123763474
1,3-dimethyl-5-pentan-2-ylcycloheptane
CID 57011378
cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane
CID 173346335
N-hexyl-3-propan-2-ylcyclohexan-1-amine
CID 107447898
1-butan-2-yl-3-pentan-2-yloxycyclohexane
CID 123995677

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-pentan-2-ylcyclohexan-1-amine?
The IUPAC name of N-ethyl-3-pentan-2-ylcyclohexan-1-amine (CID 107888160) is N-ethyl-3-pentan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3-pentan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-3-pentan-2-ylcyclohexan-1-amine is CCCC(C)C1CCCC(NCC)C1.
What is the InChIKey of N-ethyl-3-pentan-2-ylcyclohexan-1-amine?
The InChIKey is PJKRSGVHWFZYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-7-11(3)12-8-6-9-13(10-12)14-5-2/h11-14H,4-10H2,1-3H3.
What are the key properties of N-ethyl-3-pentan-2-ylcyclohexan-1-amine?
N-ethyl-3-pentan-2-ylcyclohexan-1-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-ethyl-3-pentan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107888160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).