N-(1-methoxypentan-2-yl)-3-(2-methylpropyl)cyclohexan-1-amine

C16H33NO — CID 107428506

IUPACN-(1-methoxypentan-2-yl)-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCCCC(COC)NC1CCCC(CC(C)C)C1
InChIInChI=1S/C16H33NO/c1-5-7-16(12-18-4)17-15-9-6-8-14(11-15)10-13(2)3/h13-17H,5-12H2,1-4H3
InChIKeyMUOQUBAGHCERDB-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.00
Rot. Bonds8

About N-(1-methoxypentan-2-yl)-3-(2-methylpropyl)cyclohexan-1-amine

N-(1-methoxypentan-2-yl)-3-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 107428506) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-(1-methoxypentan-2-yl)-3-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-methoxypentan-2-yl)-3-(2-methylpropyl)cyclohexan-1-amine
PubChem CID107428506
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-(1-methoxypentan-2-yl)-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCCCC(COC)NC1CCCC(CC(C)C)C1
InChIInChI=1S/C16H33NO/c1-5-7-16(12-18-4)17-15-9-6-8-14(11-15)10-13(2)3/h13-17H,5-12H2,1-4H3
InChIKeyMUOQUBAGHCERDB-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-methoxypentan-2-yl)-3-(2-methylpropyl)cyclohexan-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-(2-methoxyethyl)-3,3-dimethylcyclohexan-1-amine
CID 64468633
N-(1-methoxypentan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757401
3-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 107428485
N-[2-(2,2-difluoroethoxy)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 108411823
N-(2-methoxyethyl)-4-methylcyclohexan-1-amine
CID 2849478
3-(4-Propylheptyl)morpholine
CID 11096343
N-(1-methoxypropan-2-yl)-2,6-dimethylcyclohexan-1-amine
CID 13090556
2-cyclohexyl-N-(2-methoxyethyl)ethanamine
CID 20699943
N-[(2R)-1-methoxypropan-2-yl]-4-methylcyclohexan-1-amine
CID 28441727
N-[(2S)-1-methoxypropan-2-yl]-4-methylcyclohexan-1-amine
CID 28441729
N-(2-methoxyethyl)-2-methylcyclohexan-1-amine
CID 43177248
N-(2-methoxyethyl)-3-methylcyclohexan-1-amine
CID 43177250

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypentan-2-yl)-3-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of N-(1-methoxypentan-2-yl)-3-(2-methylpropyl)cyclohexan-1-amine (CID 107428506) is N-(1-methoxypentan-2-yl)-3-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for N-(1-methoxypentan-2-yl)-3-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for N-(1-methoxypentan-2-yl)-3-(2-methylpropyl)cyclohexan-1-amine is CCCC(COC)NC1CCCC(CC(C)C)C1.
What is the InChIKey of N-(1-methoxypentan-2-yl)-3-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is MUOQUBAGHCERDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-5-7-16(12-18-4)17-15-9-6-8-14(11-15)10-13(2)3/h13-17H,5-12H2,1-4H3.
What are the key properties of N-(1-methoxypentan-2-yl)-3-(2-methylpropyl)cyclohexan-1-amine?
N-(1-methoxypentan-2-yl)-3-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypentan-2-yl)-3-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 107428506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).