N-ethyl-1,3,3,4,4-pentamethylcyclohexan-1-amine

C13H27N — CID 67123069

IUPACN-ethyl-1,3,3,4,4-pentamethylcyclohexan-1-amine
SMILESCCNC1(C)CCC(C)(C)C(C)(C)C1
InChIInChI=1S/C13H27N/c1-7-14-13(6)9-8-11(2,3)12(4,5)10-13/h14H,7-10H2,1-6H3
InChIKeyLSPALGLMQLNIRW-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds2

About N-ethyl-1,3,3,4,4-pentamethylcyclohexan-1-amine

N-ethyl-1,3,3,4,4-pentamethylcyclohexan-1-amine (PubChem CID 67123069) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-ethyl-1,3,3,4,4-pentamethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-1,3,3,4,4-pentamethylcyclohexan-1-amine
PubChem CID67123069
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-ethyl-1,3,3,4,4-pentamethylcyclohexan-1-amine
SMILESCCNC1(C)CCC(C)(C)C(C)(C)C1
InChIInChI=1S/C13H27N/c1-7-14-13(6)9-8-11(2,3)12(4,5)10-13/h14H,7-10H2,1-6H3
InChIKeyLSPALGLMQLNIRW-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 N-ethyl-1,3,3,4,4-pentamethylcyclohexan-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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,3,3,4,4-pentamethylcyclohexan-1-amine?
The IUPAC name of N-ethyl-1,3,3,4,4-pentamethylcyclohexan-1-amine (CID 67123069) is N-ethyl-1,3,3,4,4-pentamethylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-1,3,3,4,4-pentamethylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-1,3,3,4,4-pentamethylcyclohexan-1-amine is CCNC1(C)CCC(C)(C)C(C)(C)C1.
What is the InChIKey of N-ethyl-1,3,3,4,4-pentamethylcyclohexan-1-amine?
The InChIKey is LSPALGLMQLNIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-7-14-13(6)9-8-11(2,3)12(4,5)10-13/h14H,7-10H2,1-6H3.
What are the key properties of N-ethyl-1,3,3,4,4-pentamethylcyclohexan-1-amine?
N-ethyl-1,3,3,4,4-pentamethylcyclohexan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,3,3,4,4-pentamethylcyclohexan-1-amine is sourced from PubChem (CID 67123069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).