N,4-ditert-butyl-3,3,5-trimethylcyclohexan-1-amine

C17H35N — CID 23544585

IUPACN,4-ditert-butyl-3,3,5-trimethylcyclohexan-1-amine
SMILESCC1CC(NC(C)(C)C)CC(C)(C)C1C(C)(C)C
InChIInChI=1S/C17H35N/c1-12-10-13(18-16(5,6)7)11-17(8,9)14(12)15(2,3)4/h12-14,18H,10-11H2,1-9H3
InChIKeySIYDKVJCPXOXLM-UHFFFAOYSA-N
MW253.47 g/mol
LogP4.86
Rot. Bonds1

About N,4-ditert-butyl-3,3,5-trimethylcyclohexan-1-amine

N,4-ditert-butyl-3,3,5-trimethylcyclohexan-1-amine (PubChem CID 23544585) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N,4-ditert-butyl-3,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN,4-ditert-butyl-3,3,5-trimethylcyclohexan-1-amine
PubChem CID23544585
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN,4-ditert-butyl-3,3,5-trimethylcyclohexan-1-amine
SMILESCC1CC(NC(C)(C)C)CC(C)(C)C1C(C)(C)C
InChIInChI=1S/C17H35N/c1-12-10-13(18-16(5,6)7)11-17(8,9)14(12)15(2,3)4/h12-14,18H,10-11H2,1-9H3
InChIKeySIYDKVJCPXOXLM-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N,4-ditert-butyl-3,3,5-trimethylcyclohexan-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,4-ditert-butyl-3,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of N,4-ditert-butyl-3,3,5-trimethylcyclohexan-1-amine (CID 23544585) is N,4-ditert-butyl-3,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for N,4-ditert-butyl-3,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for N,4-ditert-butyl-3,3,5-trimethylcyclohexan-1-amine is CC1CC(NC(C)(C)C)CC(C)(C)C1C(C)(C)C.
What is the InChIKey of N,4-ditert-butyl-3,3,5-trimethylcyclohexan-1-amine?
The InChIKey is SIYDKVJCPXOXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-12-10-13(18-16(5,6)7)11-17(8,9)14(12)15(2,3)4/h12-14,18H,10-11H2,1-9H3.
What are the key properties of N,4-ditert-butyl-3,3,5-trimethylcyclohexan-1-amine?
N,4-ditert-butyl-3,3,5-trimethylcyclohexan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 4.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-ditert-butyl-3,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 23544585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).