[1-(2,2-dimethylpropylamino)-3-methylcyclohexyl]methanol

C13H27NO — CID 62553342

IUPAC[1-(2,2-dimethylpropylamino)-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(NCC(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-11-6-5-7-13(8-11,10-15)14-9-12(2,3)4/h11,14-15H,5-10H2,1-4H3
InChIKeyFHPZWUIWLKUXBK-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.56
Rot. Bonds3

About [1-(2,2-dimethylpropylamino)-3-methylcyclohexyl]methanol

[1-(2,2-dimethylpropylamino)-3-methylcyclohexyl]methanol (PubChem CID 62553342) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is [1-(2,2-dimethylpropylamino)-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2,2-dimethylpropylamino)-3-methylcyclohexyl]methanol
PubChem CID62553342
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name[1-(2,2-dimethylpropylamino)-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(NCC(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-11-6-5-7-13(8-11,10-15)14-9-12(2,3)4/h11,14-15H,5-10H2,1-4H3
InChIKeyFHPZWUIWLKUXBK-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetic acid
CID 55209144
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetonitrile
CID 62553552
[1-[(2,2-difluoro-2-phenylethyl)amino]-3-methylcyclohexyl]methanol
CID 116789037
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide
CID 62527893
[1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol
CID 63476984
[1-(2-tert-butylsulfonylethylamino)-3-methylcyclohexyl]methanol
CID 106723632
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropane-2-sulfonamide
CID 55231623
6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-2,2-dimethylhexanenitrile
CID 106709284
2-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropanamide
CID 114328607
[3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol
CID 62699549
methyl 4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]butanoate
CID 62552200
[3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol
CID 55086844

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-dimethylpropylamino)-3-methylcyclohexyl]methanol?
The IUPAC name of [1-(2,2-dimethylpropylamino)-3-methylcyclohexyl]methanol (CID 62553342) is [1-(2,2-dimethylpropylamino)-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-(2,2-dimethylpropylamino)-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-(2,2-dimethylpropylamino)-3-methylcyclohexyl]methanol is CC1CCCC(CO)(NCC(C)(C)C)C1.
What is the InChIKey of [1-(2,2-dimethylpropylamino)-3-methylcyclohexyl]methanol?
The InChIKey is FHPZWUIWLKUXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11-6-5-7-13(8-11,10-15)14-9-12(2,3)4/h11,14-15H,5-10H2,1-4H3.
What are the key properties of [1-(2,2-dimethylpropylamino)-3-methylcyclohexyl]methanol?
[1-(2,2-dimethylpropylamino)-3-methylcyclohexyl]methanol has a molecular weight of 213.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-dimethylpropylamino)-3-methylcyclohexyl]methanol is sourced from PubChem (CID 62553342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).