1-(1-amino-2-methylcyclohexyl)-3-methylbutan-2-ol

C12H25NO — CID 164652728

IUPAC1-(1-amino-2-methylcyclohexyl)-3-methylbutan-2-ol
SMILESCC(C)C(O)CC1(N)CCCCC1C
InChIInChI=1S/C12H25NO/c1-9(2)11(14)8-12(13)7-5-4-6-10(12)3/h9-11,14H,4-8,13H2,1-3H3
InChIKeyQGVCZXFRJCOEJX-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.30
Rot. Bonds3

About 1-(1-amino-2-methylcyclohexyl)-3-methylbutan-2-ol

1-(1-amino-2-methylcyclohexyl)-3-methylbutan-2-ol (PubChem CID 164652728) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(1-amino-2-methylcyclohexyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(1-amino-2-methylcyclohexyl)-3-methylbutan-2-ol
PubChem CID164652728
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(1-amino-2-methylcyclohexyl)-3-methylbutan-2-ol
SMILESCC(C)C(O)CC1(N)CCCCC1C
InChIInChI=1S/C12H25NO/c1-9(2)11(14)8-12(13)7-5-4-6-10(12)3/h9-11,14H,4-8,13H2,1-3H3
InChIKeyQGVCZXFRJCOEJX-UHFFFAOYSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[(1-methylcyclopentyl)methyl]cyclopentan-1-amine
CID 131021374
3-methyl-1-(spiro[3.5]nonan-3-ylamino)butan-2-ol
CID 102952410
1-(2-butoxyethyl)-2-methylcyclohexan-1-amine
CID 115001863
2,3-dimethyl-1-(3-methylbutyl)cyclohexan-1-amine
CID 64773954
2-methyl-1-pentan-2-ylcyclohexan-1-amine
CID 107892270
2-methyl-1-propan-2-ylcyclohexan-1-ol
CID 19833595
2-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
CID 63408341
[2-methyl-1-(2-methylpropyl)cyclopentyl]methanamine
CID 83529449
cis-(1R,2S)-1-(aminomethyl)-2-methylcyclohexan-1-ol
CID 93046973
(1S)-1-[(1R,2R)-2-amino-2-(3-methoxypropyl)cyclohexyl]ethanol
CID 11550281
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
CID 64783322
(2R)-1-(1-aminocyclopropyl)propan-2-ol
CID 96637979

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-methylcyclohexyl)-3-methylbutan-2-ol?
The IUPAC name of 1-(1-amino-2-methylcyclohexyl)-3-methylbutan-2-ol (CID 164652728) is 1-(1-amino-2-methylcyclohexyl)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(1-amino-2-methylcyclohexyl)-3-methylbutan-2-ol?
The canonical SMILES for 1-(1-amino-2-methylcyclohexyl)-3-methylbutan-2-ol is CC(C)C(O)CC1(N)CCCCC1C.
What is the InChIKey of 1-(1-amino-2-methylcyclohexyl)-3-methylbutan-2-ol?
The InChIKey is QGVCZXFRJCOEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)11(14)8-12(13)7-5-4-6-10(12)3/h9-11,14H,4-8,13H2,1-3H3.
What are the key properties of 1-(1-amino-2-methylcyclohexyl)-3-methylbutan-2-ol?
1-(1-amino-2-methylcyclohexyl)-3-methylbutan-2-ol has a molecular weight of 199.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-methylcyclohexyl)-3-methylbutan-2-ol is sourced from PubChem (CID 164652728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).