N-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine

C16H33N — CID 104574982

IUPACN-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33N/c1-15(2,3)12-17-11-13-7-9-14(10-8-13)16(4,5)6/h13-14,17H,7-12H2,1-6H3
InChIKeyITKCOTCVHAWVST-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.47
Rot. Bonds3

About N-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine

N-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine (PubChem CID 104574982) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine
PubChem CID104574982
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33N/c1-15(2,3)12-17-11-13-7-9-14(10-8-13)16(4,5)6/h13-14,17H,7-12H2,1-6H3
InChIKeyITKCOTCVHAWVST-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-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

Related Compounds

1-[(4-tert-butylcyclohexyl)methylamino]-2-methylbutan-2-ol
CID 104575141
1-N-[(4-tert-butylcyclohexyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 104574795
2,2-dimethyl-N-[(4-methylcyclohexyl)methyl]propan-1-amine
CID 63001387
3-[(4-tert-butylcyclohexyl)methylamino]-2-hydroxy-2-methylpropanoic acid
CID 122040928
N-[(4-tert-butylcyclohexyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106289340
N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine
CID 63506241
3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol
CID 113428497
N-[(4-tert-butylcyclohexyl)methyl]-2-methylprop-2-en-1-amine
CID 114615781
1-N-(cyclopropylmethyl)-2-methylpropane-1,2-diamine
CID 61264893
6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol
CID 107849266
N-[(4-tert-butylcyclohexyl)methyl]-3-methylpentan-3-amine
CID 106327957
N-[(4-tert-butylcyclohexyl)methyl]-3-methylsulfanylpropan-1-amine
CID 104575105

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine (CID 104574982) is N-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine is CC(C)(C)CNCC1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine?
The InChIKey is ITKCOTCVHAWVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-15(2,3)12-17-11-13-7-9-14(10-8-13)16(4,5)6/h13-14,17H,7-12H2,1-6H3.
What are the key properties of N-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine?
N-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 104574982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).