2-[(2,3-dimethylcyclohexyl)amino]butan-1-ol

C12H25NO — CID 64773964

IUPAC2-[(2,3-dimethylcyclohexyl)amino]butan-1-ol
SMILESCCC(CO)NC1CCCC(C)C1C
InChIInChI=1S/C12H25NO/c1-4-11(8-14)13-12-7-5-6-9(2)10(12)3/h9-14H,4-8H2,1-3H3
InChIKeyNWRZWUZKGGWQJJ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.17
Rot. Bonds4

About 2-[(2,3-dimethylcyclohexyl)amino]butan-1-ol

2-[(2,3-dimethylcyclohexyl)amino]butan-1-ol (PubChem CID 64773964) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-[(2,3-dimethylcyclohexyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(2,3-dimethylcyclohexyl)amino]butan-1-ol
PubChem CID64773964
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-[(2,3-dimethylcyclohexyl)amino]butan-1-ol
SMILESCCC(CO)NC1CCCC(C)C1C
InChIInChI=1S/C12H25NO/c1-4-11(8-14)13-12-7-5-6-9(2)10(12)3/h9-14H,4-8H2,1-3H3
InChIKeyNWRZWUZKGGWQJJ-UHFFFAOYSA-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

(2S)-2-[(2,6-dimethylcyclohexyl)amino]butan-1-ol
CID 104980900
2-[[(1R,2S)-2-methylcyclopentyl]amino]propane-1,3-diol
CID 96980281
2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol
CID 60713643
trans-(1S,2S)-2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol
CID 102733097
(1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine
CID 124710315
(2S)-2-[(2,3-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 102613768
2-[[(1S,2R)-2-methylcyclohexyl]amino]propane-1,3-diol
CID 96980097
4-methyl-2-[(2-methylcyclopentyl)amino]pentan-1-ol
CID 65045844
ethyl 2-[(2,3-dimethylcyclohexyl)amino]butanoate
CID 64667349
2-[(4-methylcycloheptyl)amino]butan-1-ol
CID 65081279
2-methyl-N-(5-methylheptan-3-yl)cyclopentan-1-amine
CID 63277446
(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
CID 124526679

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylcyclohexyl)amino]butan-1-ol?
The IUPAC name of 2-[(2,3-dimethylcyclohexyl)amino]butan-1-ol (CID 64773964) is 2-[(2,3-dimethylcyclohexyl)amino]butan-1-ol.
What is the SMILES notation for 2-[(2,3-dimethylcyclohexyl)amino]butan-1-ol?
The canonical SMILES for 2-[(2,3-dimethylcyclohexyl)amino]butan-1-ol is CCC(CO)NC1CCCC(C)C1C.
What is the InChIKey of 2-[(2,3-dimethylcyclohexyl)amino]butan-1-ol?
The InChIKey is NWRZWUZKGGWQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-11(8-14)13-12-7-5-6-9(2)10(12)3/h9-14H,4-8H2,1-3H3.
What are the key properties of 2-[(2,3-dimethylcyclohexyl)amino]butan-1-ol?
2-[(2,3-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 2-[(2,3-dimethylcyclohexyl)amino]butan-1-ol is sourced from PubChem (CID 64773964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).