2-cyclopropyl-1-(4,4-dimethylcyclohexyl)ethanamine

C13H25N — CID 65390231

IUPAC2-cyclopropyl-1-(4,4-dimethylcyclohexyl)ethanamine
SMILESCC1(C)CCC(C(N)CC2CC2)CC1
InChIInChI=1S/C13H25N/c1-13(2)7-5-11(6-8-13)12(14)9-10-3-4-10/h10-12H,3-9,14H2,1-2H3
InChIKeyNGRBVMSGCFOJCY-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.33
Rot. Bonds3

About 2-cyclopropyl-1-(4,4-dimethylcyclohexyl)ethanamine

2-cyclopropyl-1-(4,4-dimethylcyclohexyl)ethanamine (PubChem CID 65390231) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2-cyclopropyl-1-(4,4-dimethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-(4,4-dimethylcyclohexyl)ethanamine
PubChem CID65390231
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2-cyclopropyl-1-(4,4-dimethylcyclohexyl)ethanamine
SMILESCC1(C)CCC(C(N)CC2CC2)CC1
InChIInChI=1S/C13H25N/c1-13(2)7-5-11(6-8-13)12(14)9-10-3-4-10/h10-12H,3-9,14H2,1-2H3
InChIKeyNGRBVMSGCFOJCY-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4,4-dimethylcyclohexyl)-3-methylbutan-2-amine
CID 130596399
2-cyclopropyl-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65391637
[2-cyclopentyl-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105231643
(1S)-1-(4,4-dimethylcyclohexyl)ethanamine
CID 65391673
1,2-di(cyclobutyl)ethanamine
CID 65456758
1-(4,4-dimethylcyclohexyl)octan-1-amine
CID 65391803
1-(4,4-dimethylcyclohexyl)-2-propoxyethanamine
CID 79575349
(1S)-1,2-dicyclohexylethanamine
CID 44574818
2-cycloheptyl-1-cyclopentylethanamine
CID 115779065
2-cyclohexyl-1-(4-ethylcyclohexyl)ethanamine
CID 65394351
2-cyclopentyl-1-(4-propylcyclohexyl)ethanamine
CID 65424909
2-cyclobutyl-1-cycloheptylethanamine
CID 65457005

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(4,4-dimethylcyclohexyl)ethanamine?
The IUPAC name of 2-cyclopropyl-1-(4,4-dimethylcyclohexyl)ethanamine (CID 65390231) is 2-cyclopropyl-1-(4,4-dimethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-1-(4,4-dimethylcyclohexyl)ethanamine?
The canonical SMILES for 2-cyclopropyl-1-(4,4-dimethylcyclohexyl)ethanamine is CC1(C)CCC(C(N)CC2CC2)CC1.
What is the InChIKey of 2-cyclopropyl-1-(4,4-dimethylcyclohexyl)ethanamine?
The InChIKey is NGRBVMSGCFOJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-13(2)7-5-11(6-8-13)12(14)9-10-3-4-10/h10-12H,3-9,14H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(4,4-dimethylcyclohexyl)ethanamine?
2-cyclopropyl-1-(4,4-dimethylcyclohexyl)ethanamine has a molecular weight of 195.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(4,4-dimethylcyclohexyl)ethanamine is sourced from PubChem (CID 65390231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).