N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine

C13H27NO — CID 155794064

IUPACN,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine
SMILESCN(C)C1CCCC(COC(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-13(2,3)15-10-11-7-6-8-12(9-11)14(4)5/h11-12H,6-10H2,1-5H3
InChIKeyKMMGMMPYGZZLHE-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.92
Rot. Bonds3

About N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine

N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine (PubChem CID 155794064) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine
PubChem CID155794064
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC NameN,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine
SMILESCN(C)C1CCCC(COC(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-13(2,3)15-10-11-7-6-8-12(9-11)14(4)5/h11-12H,6-10H2,1-5H3
InChIKeyKMMGMMPYGZZLHE-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

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Related Compounds

N,N-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine
CID 155794407
2,2-dimethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]propan-1-one
CID 139428026
[(1S,3R)-3-(dimethylamino)cyclohexyl]methanol
CID 131020197
1,1-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexane
CID 56980867
cis-(1R,2R)-N,N-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclobutan-1-amine
CID 155794326
cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 86328477
bis((2-methylpropan-2-yl)oxycyclopentane);(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane
CID 159465161
4-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrate
CID 144530470
cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine
CID 142193437
N,N-dimethyl-1-[2-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methanamine
CID 155794241
(3S)-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 94408814
[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclobutane
CID 118217395

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine (CID 155794064) is N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine is CN(C)C1CCCC(COC(C)(C)C)C1.
What is the InChIKey of N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine?
The InChIKey is KMMGMMPYGZZLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-13(2,3)15-10-11-7-6-8-12(9-11)14(4)5/h11-12H,6-10H2,1-5H3.
What are the key properties of N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine?
N,N-dimethyl-3-[(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-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine is sourced from PubChem (CID 155794064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).