(2S)-1-(cyclohexylmethylamino)-5-methylhexan-2-ol

C14H29NO — CID 54336883

IUPAC(2S)-1-(cyclohexylmethylamino)-5-methylhexan-2-ol
SMILESCC(C)CC[C@H](O)CNCC1CCCCC1
InChIInChI=1S/C14H29NO/c1-12(2)8-9-14(16)11-15-10-13-6-4-3-5-7-13/h12-16H,3-11H2,1-2H3/t14-/m0/s1
InChIKeyMLENZFUSBFLNEN-AWEZNQCLSA-N
MW227.39 g/mol
LogP2.95
Rot. Bonds7

About (2S)-1-(cyclohexylmethylamino)-5-methylhexan-2-ol

(2S)-1-(cyclohexylmethylamino)-5-methylhexan-2-ol (PubChem CID 54336883) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is (2S)-1-(cyclohexylmethylamino)-5-methylhexan-2-ol.

Molecular Properties

Compound Name(2S)-1-(cyclohexylmethylamino)-5-methylhexan-2-ol
PubChem CID54336883
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name(2S)-1-(cyclohexylmethylamino)-5-methylhexan-2-ol
SMILESCC(C)CC[C@H](O)CNCC1CCCCC1
InChIInChI=1S/C14H29NO/c1-12(2)8-9-14(16)11-15-10-13-6-4-3-5-7-13/h12-16H,3-11H2,1-2H3/t14-/m0/s1
InChIKeyMLENZFUSBFLNEN-AWEZNQCLSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-5-methylhexan-2-ol
CID 115783773
3-(cycloheptylmethylamino)propane-1,2-diol
CID 66176972
1-(cyclohexylmethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60633651
3-(cyclopentylmethylamino)propane-1,2-diol
CID 60900461
N-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 43317373
methyl 5-(cyclopentylmethylamino)-4-hydroxypentanoate
CID 115123592
N-(cyclohexylmethyl)-4-methylpentan-1-amine
CID 60743779
1-(cyclopentylmethylamino)-3-methylbutan-2-ol
CID 115907214
2-chloro-N-(cyclopentylmethyl)propan-1-amine
CID 65024059
4-(cyclohexylmethylamino)-3-hydroxybutanoic acid
CID 103237864
1-(cyclopentylmethylamino)-3-ethoxypropan-2-ol
CID 63934617
1-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 60633455

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclohexylmethylamino)-5-methylhexan-2-ol?
The IUPAC name of (2S)-1-(cyclohexylmethylamino)-5-methylhexan-2-ol (CID 54336883) is (2S)-1-(cyclohexylmethylamino)-5-methylhexan-2-ol.
What is the SMILES notation for (2S)-1-(cyclohexylmethylamino)-5-methylhexan-2-ol?
The canonical SMILES for (2S)-1-(cyclohexylmethylamino)-5-methylhexan-2-ol is CC(C)CC[C@H](O)CNCC1CCCCC1.
What is the InChIKey of (2S)-1-(cyclohexylmethylamino)-5-methylhexan-2-ol?
The InChIKey is MLENZFUSBFLNEN-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(2)8-9-14(16)11-15-10-13-6-4-3-5-7-13/h12-16H,3-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-1-(cyclohexylmethylamino)-5-methylhexan-2-ol?
(2S)-1-(cyclohexylmethylamino)-5-methylhexan-2-ol has a molecular weight of 227.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclohexylmethylamino)-5-methylhexan-2-ol is sourced from PubChem (CID 54336883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).