(2,4-ditert-butylcyclohexyl)methanamine

C15H31N — CID 81012705

IUPAC(2,4-ditert-butylcyclohexyl)methanamine
SMILESCC(C)(C)C1CCC(CN)C(C(C)(C)C)C1
InChIInChI=1S/C15H31N/c1-14(2,3)12-8-7-11(10-16)13(9-12)15(4,5)6/h11-13H,7-10,16H2,1-6H3
InChIKeyKTWVVQZLSZRSJJ-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.07
Rot. Bonds1

About (2,4-ditert-butylcyclohexyl)methanamine

(2,4-ditert-butylcyclohexyl)methanamine (PubChem CID 81012705) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is (2,4-ditert-butylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2,4-ditert-butylcyclohexyl)methanamine
PubChem CID81012705
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name(2,4-ditert-butylcyclohexyl)methanamine
SMILESCC(C)(C)C1CCC(CN)C(C(C)(C)C)C1
InChIInChI=1S/C15H31N/c1-14(2,3)12-8-7-11(10-16)13(9-12)15(4,5)6/h11-13H,7-10,16H2,1-6H3
InChIKeyKTWVVQZLSZRSJJ-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2,4-ditert-butylcyclohexyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-tert-butyl-2-(4-chlorophenyl)cyclohexyl]methanamine
CID 81012614
(2-tert-butylcyclopentyl)methanamine
CID 81010669
[4-tert-butyl-2-(oxan-4-yl)cyclohexyl]methanamine
CID 81011372
[4-tert-butyl-2-(2,4-difluorophenyl)cyclohexyl]methanamine
CID 81012914
(4-tert-butyl-2-but-3-ynylcyclohexyl)methanamine
CID 81012794
2-(aminomethyl)-5-tert-butyl-N-methyl-N-propan-2-ylcyclohexan-1-amine
CID 43293395
(4-tert-butyl-2-piperidin-1-ylcyclohexyl)methanamine
CID 43293404
[4-tert-butyl-2-(4-fluoro-2-methylphenyl)cyclohexyl]methanamine
CID 81011743
[4-tert-butyl-2-(2-methylpropylsulfanyl)cyclohexyl]methanamine
CID 43529830
[4-tert-butyl-2-(3-methylcyclohexyl)cyclohexyl]methanamine
CID 81011858
[4-tert-butyl-2-(oxan-4-ylsulfinyl)cyclohexyl]methanamine
CID 81334474
1,3-ditert-butylcyclopentane;ethane
CID 161179598

Frequently Asked Questions

What is the IUPAC name of (2,4-ditert-butylcyclohexyl)methanamine?
The IUPAC name of (2,4-ditert-butylcyclohexyl)methanamine (CID 81012705) is (2,4-ditert-butylcyclohexyl)methanamine.
What is the SMILES notation for (2,4-ditert-butylcyclohexyl)methanamine?
The canonical SMILES for (2,4-ditert-butylcyclohexyl)methanamine is CC(C)(C)C1CCC(CN)C(C(C)(C)C)C1.
What is the InChIKey of (2,4-ditert-butylcyclohexyl)methanamine?
The InChIKey is KTWVVQZLSZRSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-14(2,3)12-8-7-11(10-16)13(9-12)15(4,5)6/h11-13H,7-10,16H2,1-6H3.
What are the key properties of (2,4-ditert-butylcyclohexyl)methanamine?
(2,4-ditert-butylcyclohexyl)methanamine has a molecular weight of 225.42 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-ditert-butylcyclohexyl)methanamine is sourced from PubChem (CID 81012705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).