[4-(1-cyclopropylpropan-2-ylamino)cyclohexyl]methanol

C13H25NO — CID 103788562

IUPAC[4-(1-cyclopropylpropan-2-ylamino)cyclohexyl]methanol
SMILESCC(CC1CC1)NC1CCC(CO)CC1
InChIInChI=1S/C13H25NO/c1-10(8-11-2-3-11)14-13-6-4-12(9-15)5-7-13/h10-15H,2-9H2,1H3
InChIKeyXJJZMCHOGMQURN-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.32
Rot. Bonds5

About [4-(1-cyclopropylpropan-2-ylamino)cyclohexyl]methanol

[4-(1-cyclopropylpropan-2-ylamino)cyclohexyl]methanol (PubChem CID 103788562) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is [4-(1-cyclopropylpropan-2-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(1-cyclopropylpropan-2-ylamino)cyclohexyl]methanol
PubChem CID103788562
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name[4-(1-cyclopropylpropan-2-ylamino)cyclohexyl]methanol
SMILESCC(CC1CC1)NC1CCC(CO)CC1
InChIInChI=1S/C13H25NO/c1-10(8-11-2-3-11)14-13-6-4-12(9-15)5-7-13/h10-15H,2-9H2,1H3
InChIKeyXJJZMCHOGMQURN-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-(Methylamino)cyclohexyl)methanol
CID 20760612
[4-(3,3-Dimethylbutylamino)cyclohexyl]methanol
CID 86804452
[4-[[(3S)-spiro[3.3]heptan-3-yl]amino]cyclohexyl]methanol
CID 100738317
[4-(4,4,4-Trifluorobutan-2-ylamino)cyclohexyl]methanol
CID 103788583
2-Methyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
CID 113460018
3-Cyclohexyl-3-[(propan-2-yl)amino]propan-1-ol
CID 54593688
[(1S,2S)-2-(methylamino)cyclohexyl]methanol
CID 12167496
[2-(Methylamino)cyclohexyl]methanol
CID 12651719
[(1S,2R)-2-(methylamino)cyclohexyl]methanol
CID 12651720
[(1R,2R)-2-(methylamino)cyclohexyl]methanol
CID 12651721
[4-(Diethylamino)cyclohexyl]methanol
CID 18000543
(2,6-Dimethylpiperidin-3-yl)methanol
CID 19019573

Frequently Asked Questions

What is the IUPAC name of [4-(1-cyclopropylpropan-2-ylamino)cyclohexyl]methanol?
The IUPAC name of [4-(1-cyclopropylpropan-2-ylamino)cyclohexyl]methanol (CID 103788562) is [4-(1-cyclopropylpropan-2-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [4-(1-cyclopropylpropan-2-ylamino)cyclohexyl]methanol?
The canonical SMILES for [4-(1-cyclopropylpropan-2-ylamino)cyclohexyl]methanol is CC(CC1CC1)NC1CCC(CO)CC1.
What is the InChIKey of [4-(1-cyclopropylpropan-2-ylamino)cyclohexyl]methanol?
The InChIKey is XJJZMCHOGMQURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(8-11-2-3-11)14-13-6-4-12(9-15)5-7-13/h10-15H,2-9H2,1H3.
What are the key properties of [4-(1-cyclopropylpropan-2-ylamino)cyclohexyl]methanol?
[4-(1-cyclopropylpropan-2-ylamino)cyclohexyl]methanol has a molecular weight of 211.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-cyclopropylpropan-2-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 103788562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).