N-(3-methoxy-2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine

C14H29NO — CID 81334166

IUPACN-(3-methoxy-2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine
SMILESCOCC(C)CNC1CCCCC1C(C)C
InChIInChI=1S/C14H29NO/c1-11(2)13-7-5-6-8-14(13)15-9-12(3)10-16-4/h11-15H,5-10H2,1-4H3
InChIKeyZLKSAKFBBDDILL-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.07
Rot. Bonds6

About N-(3-methoxy-2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine

N-(3-methoxy-2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine (PubChem CID 81334166) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-(3-methoxy-2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-methoxy-2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine
PubChem CID81334166
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-(3-methoxy-2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine
SMILESCOCC(C)CNC1CCCCC1C(C)C
InChIInChI=1S/C14H29NO/c1-11(2)13-7-5-6-8-14(13)15-9-12(3)10-16-4/h11-15H,5-10H2,1-4H3
InChIKeyZLKSAKFBBDDILL-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-methoxy-2-methylpropyl)-2-propan-2-ylcyclohexan-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-methylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 81301790
N-(3-methoxy-2-methylpropyl)-2-methylcyclopentan-1-amine
CID 65045798
N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81328492
N-(1-methoxy-3-methylbutan-2-yl)-2-propan-2-ylcyclohexan-1-amine
CID 81344120
N-(cyclopropylmethyl)-2-propan-2-ylcyclohexan-1-amine
CID 78927307
N-(3-methoxy-2-methylpropyl)-2-methylsulfonylcyclopentan-1-amine
CID 65045799
2-propan-2-yl-N-propylcyclohexan-1-amine
CID 62603110
tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cycloheptyl]carbamate
CID 103082529
N-(3-methoxy-2-methylpropyl)-2,5-dimethylcyclohexan-1-amine
CID 64760108
2-imidazol-1-yl-N-(3-methoxy-2-methylpropyl)cyclopentan-1-amine
CID 116501076
2-[(3-methoxy-2-methylpropyl)amino]cyclobutane-1-carboxylic acid
CID 103245626
2-propan-2-yl-N-(4-propan-2-yloxybutyl)cyclohexan-1-amine
CID 113383965

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-(3-methoxy-2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine (CID 81334166) is N-(3-methoxy-2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-(3-methoxy-2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-(3-methoxy-2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine is COCC(C)CNC1CCCCC1C(C)C.
What is the InChIKey of N-(3-methoxy-2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is ZLKSAKFBBDDILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-11(2)13-7-5-6-8-14(13)15-9-12(3)10-16-4/h11-15H,5-10H2,1-4H3.
What are the key properties of N-(3-methoxy-2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine?
N-(3-methoxy-2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 81334166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).