4-(3-methylpentan-2-ylamino)cyclohexan-1-ol

C12H25NO — CID 43201193

IUPAC4-(3-methylpentan-2-ylamino)cyclohexan-1-ol
SMILESCCC(C)C(C)NC1CCC(O)CC1
InChIInChI=1S/C12H25NO/c1-4-9(2)10(3)13-11-5-7-12(14)8-6-11/h9-14H,4-8H2,1-3H3
InChIKeyXAABJGKMTWGSTG-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.31
Rot. Bonds4

About 4-(3-methylpentan-2-ylamino)cyclohexan-1-ol

4-(3-methylpentan-2-ylamino)cyclohexan-1-ol (PubChem CID 43201193) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-(3-methylpentan-2-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3-methylpentan-2-ylamino)cyclohexan-1-ol
PubChem CID43201193
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-(3-methylpentan-2-ylamino)cyclohexan-1-ol
SMILESCCC(C)C(C)NC1CCC(O)CC1
InChIInChI=1S/C12H25NO/c1-4-9(2)10(3)13-11-5-7-12(14)8-6-11/h9-14H,4-8H2,1-3H3
InChIKeyXAABJGKMTWGSTG-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylpentan-2-yl)-4-propylcyclohexan-1-amine
CID 63456173
N-(5-ethyl-3-methylheptan-2-yl)cyclopropanamine
CID 82930868
4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol
CID 106595214
4-(1-methoxypropan-2-ylamino)cyclohexan-1-ol
CID 62535244
cyclohexane-1,4-diol;2-methylbutane
CID 145319923
1-methyl-N-(3-methylpentan-2-yl)azepan-4-amine
CID 65070746
cis-(1R,2S)-2-[[(2S,3S)-3-methylpentan-2-yl]amino]cyclohexan-1-ol
CID 124709342
2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone
CID 43747506
3-[(4-methoxycyclohexyl)amino]-2-methylbutan-1-ol
CID 104530280
4-(1-cyclobutylethylamino)cyclohexan-1-ol
CID 103775411
2-(cyclopropylamino)-3-methylpentanoic acid
CID 61319137
methyl 3-(3-methylpentan-2-ylamino)pyrrolidine-1-carboxylate
CID 115891993

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpentan-2-ylamino)cyclohexan-1-ol?
The IUPAC name of 4-(3-methylpentan-2-ylamino)cyclohexan-1-ol (CID 43201193) is 4-(3-methylpentan-2-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(3-methylpentan-2-ylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(3-methylpentan-2-ylamino)cyclohexan-1-ol is CCC(C)C(C)NC1CCC(O)CC1.
What is the InChIKey of 4-(3-methylpentan-2-ylamino)cyclohexan-1-ol?
The InChIKey is XAABJGKMTWGSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-9(2)10(3)13-11-5-7-12(14)8-6-11/h9-14H,4-8H2,1-3H3.
What are the key properties of 4-(3-methylpentan-2-ylamino)cyclohexan-1-ol?
4-(3-methylpentan-2-ylamino)cyclohexan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpentan-2-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 43201193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).