N,N-dimethyl-2-(3,3,4-trimethylcyclohexyl)ethanamine

C13H27N — CID 23384278

IUPACN,N-dimethyl-2-(3,3,4-trimethylcyclohexyl)ethanamine
SMILESCC1CCC(CCN(C)C)CC1(C)C
InChIInChI=1S/C13H27N/c1-11-6-7-12(8-9-14(4)5)10-13(11,2)3/h11-12H,6-10H2,1-5H3
InChIKeyMAEPSAXUTNGKTN-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.40
Rot. Bonds3

About N,N-dimethyl-2-(3,3,4-trimethylcyclohexyl)ethanamine

N,N-dimethyl-2-(3,3,4-trimethylcyclohexyl)ethanamine (PubChem CID 23384278) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N,N-dimethyl-2-(3,3,4-trimethylcyclohexyl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(3,3,4-trimethylcyclohexyl)ethanamine
PubChem CID23384278
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN,N-dimethyl-2-(3,3,4-trimethylcyclohexyl)ethanamine
SMILESCC1CCC(CCN(C)C)CC1(C)C
InChIInChI=1S/C13H27N/c1-11-6-7-12(8-9-14(4)5)10-13(11,2)3/h11-12H,6-10H2,1-5H3
InChIKeyMAEPSAXUTNGKTN-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3,3,4-trimethylcyclohexyl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(3,3,4-trimethylcyclohexyl)ethanamine (CID 23384278) is N,N-dimethyl-2-(3,3,4-trimethylcyclohexyl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(3,3,4-trimethylcyclohexyl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(3,3,4-trimethylcyclohexyl)ethanamine is CC1CCC(CCN(C)C)CC1(C)C.
What is the InChIKey of N,N-dimethyl-2-(3,3,4-trimethylcyclohexyl)ethanamine?
The InChIKey is MAEPSAXUTNGKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-11-6-7-12(8-9-14(4)5)10-13(11,2)3/h11-12H,6-10H2,1-5H3.
What are the key properties of N,N-dimethyl-2-(3,3,4-trimethylcyclohexyl)ethanamine?
N,N-dimethyl-2-(3,3,4-trimethylcyclohexyl)ethanamine has a molecular weight of 197.37 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3,3,4-trimethylcyclohexyl)ethanamine is sourced from PubChem (CID 23384278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).