N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C18H27N — CID 63995066

IUPACN-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC1CCC(NC2CCc3ccccc3C2)C(C)C1
InChIInChI=1S/C18H27N/c1-13-7-10-18(14(2)11-13)19-17-9-8-15-5-3-4-6-16(15)12-17/h3-6,13-14,17-19H,7-12H2,1-2H3
InChIKeyYYHMNBDYEWEFLK-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.96
Rot. Bonds2

About N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine

N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63995066) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63995066
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC1CCC(NC2CCc3ccccc3C2)C(C)C1
InChIInChI=1S/C18H27N/c1-13-7-10-18(14(2)11-13)19-17-9-8-15-5-3-4-6-16(15)12-17/h3-6,13-14,17-19H,7-12H2,1-2H3
InChIKeyYYHMNBDYEWEFLK-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-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-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63995066) is N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine is CC1CCC(NC2CCc3ccccc3C2)C(C)C1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is YYHMNBDYEWEFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-13-7-10-18(14(2)11-13)19-17-9-8-15-5-3-4-6-16(15)12-17/h3-6,13-14,17-19H,7-12H2,1-2H3.
What are the key properties of N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 257.42 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63995066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).