1-(1-methoxy-3-methylcyclohexyl)-N,2-dimethylpropan-1-amine

C13H27NO — CID 116767848

IUPAC1-(1-methoxy-3-methylcyclohexyl)-N,2-dimethylpropan-1-amine
SMILESCNC(C(C)C)C1(OC)CCCC(C)C1
InChIInChI=1S/C13H27NO/c1-10(2)12(14-4)13(15-5)8-6-7-11(3)9-13/h10-12,14H,6-9H2,1-5H3
InChIKeyJBOMTNQZCSXBID-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds4

About 1-(1-methoxy-3-methylcyclohexyl)-N,2-dimethylpropan-1-amine

1-(1-methoxy-3-methylcyclohexyl)-N,2-dimethylpropan-1-amine (PubChem CID 116767848) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(1-methoxy-3-methylcyclohexyl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(1-methoxy-3-methylcyclohexyl)-N,2-dimethylpropan-1-amine
PubChem CID116767848
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(1-methoxy-3-methylcyclohexyl)-N,2-dimethylpropan-1-amine
SMILESCNC(C(C)C)C1(OC)CCCC(C)C1
InChIInChI=1S/C13H27NO/c1-10(2)12(14-4)13(15-5)8-6-7-11(3)9-13/h10-12,14H,6-9H2,1-5H3
InChIKeyJBOMTNQZCSXBID-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767760
1-(1-methoxycyclohexyl)-N,2-dimethylpropan-1-amine
CID 116762957
1-(1-methoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
CID 116754943
1-(1-methoxy-3-methylcyclohexyl)-N,2-dimethylprop-2-en-1-amine
CID 116767764
1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-yn-1-amine
CID 116767850
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116767757
1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-en-1-amine
CID 116767736
1-(4-ethylcyclohexyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116767881
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-3-phenylpropan-1-amine
CID 116767746
[1-(1-methoxy-3-methylcyclohexyl)-2-propan-2-yloxyethyl]hydrazine
CID 105277619
2-(4-ethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767869
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 116767832

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)-N,2-dimethylpropan-1-amine (CID 116767848) is 1-(1-methoxy-3-methylcyclohexyl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(1-methoxy-3-methylcyclohexyl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(1-methoxy-3-methylcyclohexyl)-N,2-dimethylpropan-1-amine is CNC(C(C)C)C1(OC)CCCC(C)C1.
What is the InChIKey of 1-(1-methoxy-3-methylcyclohexyl)-N,2-dimethylpropan-1-amine?
The InChIKey is JBOMTNQZCSXBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)12(14-4)13(15-5)8-6-7-11(3)9-13/h10-12,14H,6-9H2,1-5H3.
What are the key properties of 1-(1-methoxy-3-methylcyclohexyl)-N,2-dimethylpropan-1-amine?
1-(1-methoxy-3-methylcyclohexyl)-N,2-dimethylpropan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-3-methylcyclohexyl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 116767848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).