(2S)-2-[(2,6-dimethylcyclohexyl)amino]butan-1-ol

C12H25NO — CID 104980900

IUPAC(2S)-2-[(2,6-dimethylcyclohexyl)amino]butan-1-ol
SMILESCC[C@@H](CO)NC1C(C)CCCC1C
InChIInChI=1S/C12H25NO/c1-4-11(8-14)13-12-9(2)6-5-7-10(12)3/h9-14H,4-8H2,1-3H3/t9?,10?,11-,12?/m0/s1
InChIKeyVDKRJGOGZFQAIJ-FYJQFVIDSA-N
MW199.34 g/mol
LogP2.17
Rot. Bonds4

About (2S)-2-[(2,6-dimethylcyclohexyl)amino]butan-1-ol

(2S)-2-[(2,6-dimethylcyclohexyl)amino]butan-1-ol (PubChem CID 104980900) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (2S)-2-[(2,6-dimethylcyclohexyl)amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2,6-dimethylcyclohexyl)amino]butan-1-ol
PubChem CID104980900
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(2S)-2-[(2,6-dimethylcyclohexyl)amino]butan-1-ol
SMILESCC[C@@H](CO)NC1C(C)CCCC1C
InChIInChI=1S/C12H25NO/c1-4-11(8-14)13-12-9(2)6-5-7-10(12)3/h9-14H,4-8H2,1-3H3/t9?,10?,11-,12?/m0/s1
InChIKeyVDKRJGOGZFQAIJ-FYJQFVIDSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,3-dimethylcyclohexyl)amino]butan-1-ol
CID 64773964
(2S)-2-[[(2R,6S)-2,6-dimethylcyclohexyl]amino]propan-1-ol
CID 93082955
2-[(4-methylcycloheptyl)amino]butan-1-ol
CID 65081279
(2S)-2-(cyclooctylamino)butan-1-ol
CID 28723227
2-[[(1R,2S)-2-methylcyclopentyl]amino]propane-1,3-diol
CID 96980281
trans-(1S,2S)-2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol
CID 102733097
2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol
CID 60713643
4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol
CID 106595214
3-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 104881655
2-[[(1S,2R)-2-methylcyclohexyl]amino]propane-1,3-diol
CID 96980097
3-[(2,6-dimethylcyclohexyl)amino]-4-methylpentan-1-ol
CID 115724563
(4S)-4-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]pentan-1-ol
CID 97051545

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,6-dimethylcyclohexyl)amino]butan-1-ol?
The IUPAC name of (2S)-2-[(2,6-dimethylcyclohexyl)amino]butan-1-ol (CID 104980900) is (2S)-2-[(2,6-dimethylcyclohexyl)amino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(2,6-dimethylcyclohexyl)amino]butan-1-ol?
The canonical SMILES for (2S)-2-[(2,6-dimethylcyclohexyl)amino]butan-1-ol is CC[C@@H](CO)NC1C(C)CCCC1C.
What is the InChIKey of (2S)-2-[(2,6-dimethylcyclohexyl)amino]butan-1-ol?
The InChIKey is VDKRJGOGZFQAIJ-FYJQFVIDSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-11(8-14)13-12-9(2)6-5-7-10(12)3/h9-14H,4-8H2,1-3H3/t9?,10?,11-,12?/m0/s1.
What are the key properties of (2S)-2-[(2,6-dimethylcyclohexyl)amino]butan-1-ol?
(2S)-2-[(2,6-dimethylcyclohexyl)amino]butan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,6-dimethylcyclohexyl)amino]butan-1-ol is sourced from PubChem (CID 104980900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).