(2R)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]pentan-1-ol

C13H27NO — CID 124526620

IUPAC(2R)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]pentan-1-ol
SMILESCC(C)C[C@H](CO)N[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C13H27NO/c1-10(2)8-12(9-15)14-13-7-5-4-6-11(13)3/h10-15H,4-9H2,1-3H3/t11-,12+,13-/m0/s1
InChIKeyOKNJQBIBUICFJW-XQQFMLRXSA-N
MW213.36 g/mol
LogP2.56
Rot. Bonds5

About (2R)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]pentan-1-ol

(2R)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]pentan-1-ol (PubChem CID 124526620) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (2R)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]pentan-1-ol.

Molecular Properties

Compound Name(2R)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]pentan-1-ol
PubChem CID124526620
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(2R)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]pentan-1-ol
SMILESCC(C)C[C@H](CO)N[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C13H27NO/c1-10(2)8-12(9-15)14-13-7-5-4-6-11(13)3/h10-15H,4-9H2,1-3H3/t11-,12+,13-/m0/s1
InChIKeyOKNJQBIBUICFJW-XQQFMLRXSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

Analyze (2R)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]pentan-1-ol with MolForge

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Related Compounds

4-methyl-2-[(2-methylcyclopentyl)amino]pentan-1-ol
CID 65045844
2-[[(1S,2R)-2-methylcyclohexyl]amino]propane-1,3-diol
CID 96980097
2-[[(1R,2S)-2-methylcyclopentyl]amino]propane-1,3-diol
CID 96980281
4-methyl-2-[(2-methylthian-3-yl)amino]pentan-1-ol
CID 79957763
tert-butyl N-[[2-[(1-hydroxy-4-methylpentan-2-yl)amino]cyclohexyl]methyl]carbamate
CID 103695449
N-heptan-4-yl-2-methylcyclohexan-1-amine
CID 43097186
4-methyl-2-[(4-methylcycloheptyl)amino]pentan-1-ol
CID 65079779
2-methyl-N-(5-methylheptan-3-yl)cyclopentan-1-amine
CID 63277446
(4R)-4-[[(1S,2R)-2-methylcyclohexyl]amino]pentan-1-ol
CID 124710122
2-[(2,3-dimethylcyclohexyl)amino]butan-1-ol
CID 64773964
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-4-methylpentan-1-ol
CID 61247146
cis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine
CID 124709757

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]pentan-1-ol?
The IUPAC name of (2R)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]pentan-1-ol (CID 124526620) is (2R)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]pentan-1-ol.
What is the SMILES notation for (2R)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]pentan-1-ol?
The canonical SMILES for (2R)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]pentan-1-ol is CC(C)C[C@H](CO)N[C@H]1CCCC[C@@H]1C.
What is the InChIKey of (2R)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]pentan-1-ol?
The InChIKey is OKNJQBIBUICFJW-XQQFMLRXSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)8-12(9-15)14-13-7-5-4-6-11(13)3/h10-15H,4-9H2,1-3H3/t11-,12+,13-/m0/s1.
What are the key properties of (2R)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]pentan-1-ol?
(2R)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]pentan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]pentan-1-ol is sourced from PubChem (CID 124526620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).