N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine

C20H41N — CID 81021871

IUPACN-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCC(C)CC1CC(C(C)(C)C)CCC1CNC(C)(C)C
InChIInChI=1S/C20H41N/c1-9-15(2)12-17-13-18(19(3,4)5)11-10-16(17)14-21-20(6,7)8/h15-18,21H,9-14H2,1-8H3
InChIKeyXWKVSDDIVHGCAK-UHFFFAOYSA-N
MW295.56 g/mol
LogP5.89
Rot. Bonds5

About N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine

N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 81021871) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID81021871
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC NameN-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCC(C)CC1CC(C(C)(C)C)CCC1CNC(C)(C)C
InChIInChI=1S/C20H41N/c1-9-15(2)12-17-13-18(19(3,4)5)11-10-16(17)14-21-20(6,7)8/h15-18,21H,9-14H2,1-8H3
InChIKeyXWKVSDDIVHGCAK-UHFFFAOYSA-N
XLogP5.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]-2-methylpropan-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

Related Compounds

N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine
CID 81030393
2-methyl-N-[[2-(2-methylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81031122
N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81030544
N-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-2-amine
CID 81021865
N-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-1-amine
CID 81022950
N-[[4-ethyl-2-(2-ethylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 82935432
N-[(4-tert-butyl-2-cyclopropylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 81030772
2-methyl-N-[[4-methyl-2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
CID 81031384
N-[[2-(4-tert-butylcyclohexyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 104575933
4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine
CID 63401489
2-methyl-N-[[2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
CID 81024627
N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-2-amine
CID 81030178

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine (CID 81021871) is N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine is CCC(C)CC1CC(C(C)(C)C)CCC1CNC(C)(C)C.
What is the InChIKey of N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is XWKVSDDIVHGCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-9-15(2)12-17-13-18(19(3,4)5)11-10-16(17)14-21-20(6,7)8/h15-18,21H,9-14H2,1-8H3.
What are the key properties of N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 295.56 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81021871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).