[2-(4-methoxybutan-2-yl)-4-methylcyclohexyl]methanamine

C13H27NO — CID 116500448

IUPAC[2-(4-methoxybutan-2-yl)-4-methylcyclohexyl]methanamine
SMILESCOCCC(C)C1CC(C)CCC1CN
InChIInChI=1S/C13H27NO/c1-10-4-5-12(9-14)13(8-10)11(2)6-7-15-3/h10-13H,4-9,14H2,1-3H3
InChIKeyBZHNKBQBYLVEKO-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.67
Rot. Bonds5

About [2-(4-methoxybutan-2-yl)-4-methylcyclohexyl]methanamine

[2-(4-methoxybutan-2-yl)-4-methylcyclohexyl]methanamine (PubChem CID 116500448) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is [2-(4-methoxybutan-2-yl)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(4-methoxybutan-2-yl)-4-methylcyclohexyl]methanamine
PubChem CID116500448
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name[2-(4-methoxybutan-2-yl)-4-methylcyclohexyl]methanamine
SMILESCOCCC(C)C1CC(C)CCC1CN
InChIInChI=1S/C13H27NO/c1-10-4-5-12(9-14)13(8-10)11(2)6-7-15-3/h10-13H,4-9,14H2,1-3H3
InChIKeyBZHNKBQBYLVEKO-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methyl-2-pentan-2-ylcyclohexyl)methanamine
CID 107889294
1-(4-methoxybutan-2-yl)-2-methylcyclobutane
CID 123971585
N-[[2-(4-methoxybutan-2-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 116500524
(2-pentan-2-yl-4-propylcyclohexyl)methanamine
CID 107889298
[2-(3-methoxypropyl)cyclobutyl]methanamine
CID 81010610
2-(aminomethyl)-5-methylcyclohexan-1-amine
CID 62070304
2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methylcyclohexan-1-amine
CID 54985664
(4-methyl-2-propylcyclohexyl)methanamine
CID 81009866
[4-methyl-2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine
CID 43428865
2-(aminomethyl)-N,5-dimethyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
CID 81058683
[2-(4-methylpentan-2-yl)-4-propylcyclohexyl]methanamine
CID 114284991
[4-propan-2-yl-2-(propoxymethyl)cyclohexyl]methanamine
CID 81012041

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxybutan-2-yl)-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-(4-methoxybutan-2-yl)-4-methylcyclohexyl]methanamine (CID 116500448) is [2-(4-methoxybutan-2-yl)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-(4-methoxybutan-2-yl)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-(4-methoxybutan-2-yl)-4-methylcyclohexyl]methanamine is COCCC(C)C1CC(C)CCC1CN.
What is the InChIKey of [2-(4-methoxybutan-2-yl)-4-methylcyclohexyl]methanamine?
The InChIKey is BZHNKBQBYLVEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10-4-5-12(9-14)13(8-10)11(2)6-7-15-3/h10-13H,4-9,14H2,1-3H3.
What are the key properties of [2-(4-methoxybutan-2-yl)-4-methylcyclohexyl]methanamine?
[2-(4-methoxybutan-2-yl)-4-methylcyclohexyl]methanamine has a molecular weight of 213.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxybutan-2-yl)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 116500448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).