1-(3,4-dimethylcyclohexyl)-2-methoxybutan-1-amine

C13H27NO — CID 116715255

IUPAC1-(3,4-dimethylcyclohexyl)-2-methoxybutan-1-amine
SMILESCCC(OC)C(N)C1CCC(C)C(C)C1
InChIInChI=1S/C13H27NO/c1-5-12(15-4)13(14)11-7-6-9(2)10(3)8-11/h9-13H,5-8,14H2,1-4H3
InChIKeyAPITXXOCJCFHCM-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.81
Rot. Bonds4

About 1-(3,4-dimethylcyclohexyl)-2-methoxybutan-1-amine

1-(3,4-dimethylcyclohexyl)-2-methoxybutan-1-amine (PubChem CID 116715255) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-2-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-2-methoxybutan-1-amine
PubChem CID116715255
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(3,4-dimethylcyclohexyl)-2-methoxybutan-1-amine
SMILESCCC(OC)C(N)C1CCC(C)C(C)C1
InChIInChI=1S/C13H27NO/c1-5-12(15-4)13(14)11-7-6-9(2)10(3)8-11/h9-13H,5-8,14H2,1-4H3
InChIKeyAPITXXOCJCFHCM-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylcyclohexyl)-2-methoxy-N-methylpentan-1-amine
CID 116718955
4-(1-chloropropyl)-1,2-dimethylcyclohexane
CID 79307796
1-(3,4-dimethylcyclohexyl)-3-methylpentan-1-amine
CID 104989434
(3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 64739837
2-amino-1-(3,4-dimethylcyclohexyl)propan-1-ol
CID 164658390
1-(3,4-dimethylcyclohexyl)-3,3-dimethylbutan-1-amine
CID 64738046
(3,4-dimethylcyclohexyl)-(1-ethoxycyclopentyl)methanamine
CID 116761764
1-(3,4-dimethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720679
1-(3,4-dimethylcyclohexyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 116724854
[1-(3,4-dimethylcyclohexyl)-3-methoxypropyl]hydrazine
CID 105206434
(3,4-dimethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methanamine
CID 116766285
[1-(3,5-dimethylcyclohexyl)-2-methoxybutyl]hydrazine
CID 105270795

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-methoxybutan-1-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-methoxybutan-1-amine (CID 116715255) is 1-(3,4-dimethylcyclohexyl)-2-methoxybutan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-2-methoxybutan-1-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-2-methoxybutan-1-amine is CCC(OC)C(N)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-2-methoxybutan-1-amine?
The InChIKey is APITXXOCJCFHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-12(15-4)13(14)11-7-6-9(2)10(3)8-11/h9-13H,5-8,14H2,1-4H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-2-methoxybutan-1-amine?
1-(3,4-dimethylcyclohexyl)-2-methoxybutan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-2-methoxybutan-1-amine is sourced from PubChem (CID 116715255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).