N,N-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine

C13H27NO — CID 155794407

IUPACN,N-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine
SMILESCN(C)C1CCC(COC(C)(C)C)CC1
InChIInChI=1S/C13H27NO/c1-13(2,3)15-10-11-6-8-12(9-7-11)14(4)5/h11-12H,6-10H2,1-5H3
InChIKeyGOANURFVRPXLCI-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.92
Rot. Bonds3

About N,N-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine

N,N-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine (PubChem CID 155794407) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is N,N-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine
PubChem CID155794407
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC NameN,N-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine
SMILESCN(C)C1CCC(COC(C)(C)C)CC1
InChIInChI=1S/C13H27NO/c1-13(2,3)15-10-11-6-8-12(9-7-11)14(4)5/h11-12H,6-10H2,1-5H3
InChIKeyGOANURFVRPXLCI-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]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,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine
CID 155794064
4-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrate
CID 144530470
bis((2-methylpropan-2-yl)oxycyclopentane);(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane
CID 159465161
cis-(1R,2R)-N,N-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclobutan-1-amine
CID 155794326
4-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxymethyl]-N,N-dimethylcyclohexan-1-amine
CID 68630861
4-heptyl-N,N-dimethylcyclohexan-1-amine
CID 135256513
(3S)-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 94408814
2-(cyclopropylmethoxy)butan-2-ol
CID 54194500
cyclopropylmethyl 2-[(2-methylpropan-2-yl)oxy]acetate
CID 23518864
1,3-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-diazinane
CID 71100466
N,N-dimethyl-1-(3-methylpentan-3-yl)piperidin-4-amine
CID 134214368
4-N,4-N-dimethylcyclohexane-1,4-diamine;dihydrate
CID 175142686

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine (CID 155794407) is N,N-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine is CN(C)C1CCC(COC(C)(C)C)CC1.
What is the InChIKey of N,N-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine?
The InChIKey is GOANURFVRPXLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-13(2,3)15-10-11-6-8-12(9-7-11)14(4)5/h11-12H,6-10H2,1-5H3.
What are the key properties of N,N-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine?
N,N-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine has a molecular weight of 213.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine is sourced from PubChem (CID 155794407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).