N-(1-methoxy-3-methylbutan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine

C16H33NO — CID 112682160

IUPACN-(1-methoxy-3-methylbutan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCOCC(NC1CC(C)(C)CC(C)(C)C1)C(C)C
InChIInChI=1S/C16H33NO/c1-12(2)14(10-18-7)17-13-8-15(3,4)11-16(5,6)9-13/h12-14,17H,8-11H2,1-7H3
InChIKeyCILUTUADBXILRS-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.85
Rot. Bonds5

About N-(1-methoxy-3-methylbutan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine

N-(1-methoxy-3-methylbutan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 112682160) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID112682160
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCOCC(NC1CC(C)(C)CC(C)(C)C1)C(C)C
InChIInChI=1S/C16H33NO/c1-12(2)14(10-18-7)17-13-8-15(3,4)11-16(5,6)9-13/h12-14,17H,8-11H2,1-7H3
InChIKeyCILUTUADBXILRS-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-methoxy-3-methylbutan-2-yl)-3,3,5,5-tetramethylcyclohexan-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

N-(1-methoxy-3-methylbutan-2-yl)-1-methylpiperidin-4-amine
CID 65047718
3-ethyl-N-(1-methoxy-3-methylbutan-2-yl)cyclopentan-1-amine
CID 65047589
N-(4-methoxy-4-methylpentan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965624
3,3,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]cyclohexan-1-amine
CID 112681903
N-(5-methoxypentyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 113362658
1-cyclopropyl-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidin-3-amine
CID 65047874
4-ethyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine
CID 65088356
N-(1-methoxy-3-methylbutan-2-yl)-1-methylazepan-4-amine
CID 65075295
4-tert-butyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine
CID 65089987
N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-3-amine
CID 102951989
(2S)-2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutan-1-ol
CID 80705967
N-[(1S)-1-cyclohexylethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961036

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine (CID 112682160) is N-(1-methoxy-3-methylbutan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine is COCC(NC1CC(C)(C)CC(C)(C)C1)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is CILUTUADBXILRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-12(2)14(10-18-7)17-13-8-15(3,4)11-16(5,6)9-13/h12-14,17H,8-11H2,1-7H3.
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine?
N-(1-methoxy-3-methylbutan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 112682160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).