[2-(methylamino)-5-(2-methylbutan-2-yl)cyclohexyl]methanol

C13H27NO — CID 64814908

IUPAC[2-(methylamino)-5-(2-methylbutan-2-yl)cyclohexyl]methanol
SMILESCCC(C)(C)C1CCC(NC)C(CO)C1
InChIInChI=1S/C13H27NO/c1-5-13(2,3)11-6-7-12(14-4)10(8-11)9-15/h10-12,14-15H,5-9H2,1-4H3
InChIKeyXZSHWMNEFNYFGX-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.42
Rot. Bonds4

About [2-(methylamino)-5-(2-methylbutan-2-yl)cyclohexyl]methanol

[2-(methylamino)-5-(2-methylbutan-2-yl)cyclohexyl]methanol (PubChem CID 64814908) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is [2-(methylamino)-5-(2-methylbutan-2-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[2-(methylamino)-5-(2-methylbutan-2-yl)cyclohexyl]methanol
PubChem CID64814908
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name[2-(methylamino)-5-(2-methylbutan-2-yl)cyclohexyl]methanol
SMILESCCC(C)(C)C1CCC(NC)C(CO)C1
InChIInChI=1S/C13H27NO/c1-5-13(2,3)11-6-7-12(14-4)10(8-11)9-15/h10-12,14-15H,5-9H2,1-4H3
InChIKeyXZSHWMNEFNYFGX-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(methylamino)-5-(2-methylbutan-2-yl)cyclohexyl]sulfanylpropan-1-ol
CID 66126855
2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63401093
4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine
CID 63401228
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 63956178
2-N-butyl-2-N-ethyl-1-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 63466038
2-(4-ethylpiperidin-1-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63470296
N-methyl-4-(2-methylbutan-2-yl)-2-(2-methylbutylsulfanyl)cyclohexan-1-amine
CID 107763602
2-[[butan-2-yl(ethyl)amino]methyl]-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63483811
[(1S)-2-(methylamino)cyclopentyl]methanol
CID 123545278
[2-(2-methylbutan-2-ylamino)cyclopropyl]methanol
CID 131211819
N-methyl-4-(2-methylbutan-2-yl)-2-thiophen-2-ylsulfanylcyclohexan-1-amine
CID 64612754
4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine
CID 63401489

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-5-(2-methylbutan-2-yl)cyclohexyl]methanol?
The IUPAC name of [2-(methylamino)-5-(2-methylbutan-2-yl)cyclohexyl]methanol (CID 64814908) is [2-(methylamino)-5-(2-methylbutan-2-yl)cyclohexyl]methanol.
What is the SMILES notation for [2-(methylamino)-5-(2-methylbutan-2-yl)cyclohexyl]methanol?
The canonical SMILES for [2-(methylamino)-5-(2-methylbutan-2-yl)cyclohexyl]methanol is CCC(C)(C)C1CCC(NC)C(CO)C1.
What is the InChIKey of [2-(methylamino)-5-(2-methylbutan-2-yl)cyclohexyl]methanol?
The InChIKey is XZSHWMNEFNYFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-13(2,3)11-6-7-12(14-4)10(8-11)9-15/h10-12,14-15H,5-9H2,1-4H3.
What are the key properties of [2-(methylamino)-5-(2-methylbutan-2-yl)cyclohexyl]methanol?
[2-(methylamino)-5-(2-methylbutan-2-yl)cyclohexyl]methanol has a molecular weight of 213.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-5-(2-methylbutan-2-yl)cyclohexyl]methanol is sourced from PubChem (CID 64814908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).