2-[(2,5-dimethylpyrrol-1-yl)amino]cyclohexan-1-ol

C12H20N2O — CID 79100005

IUPAC2-[(2,5-dimethylpyrrol-1-yl)amino]cyclohexan-1-ol
SMILESCc1ccc(C)n1NC1CCCCC1O
InChIInChI=1S/C12H20N2O/c1-9-7-8-10(2)14(9)13-11-5-3-4-6-12(11)15/h7-8,11-13,15H,3-6H2,1-2H3
InChIKeyMJODPAJACSDDIC-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.95
Rot. Bonds2

About 2-[(2,5-dimethylpyrrol-1-yl)amino]cyclohexan-1-ol

2-[(2,5-dimethylpyrrol-1-yl)amino]cyclohexan-1-ol (PubChem CID 79100005) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-[(2,5-dimethylpyrrol-1-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2,5-dimethylpyrrol-1-yl)amino]cyclohexan-1-ol
PubChem CID79100005
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-[(2,5-dimethylpyrrol-1-yl)amino]cyclohexan-1-ol
SMILESCc1ccc(C)n1NC1CCCCC1O
InChIInChI=1S/C12H20N2O/c1-9-7-8-10(2)14(9)13-11-5-3-4-6-12(11)15/h7-8,11-13,15H,3-6H2,1-2H3
InChIKeyMJODPAJACSDDIC-UHFFFAOYSA-N
XLogP1.95
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxycycloheptyl)-1,5-dimethylpyrrole-2-carboxamide
CID 113394900
2-(piperidin-1-ylamino)cycloheptan-1-ol
CID 83014077
trans-(1R,2R)-2-[(4-methylpiperazin-1-yl)amino]cyclohexan-1-ol
CID 102731566
trans-(1S,2S)-2-[(4-methylpiperazin-1-yl)amino]cyclohexan-1-ol
CID 102731567
(1R)-2-(4-methylanilino)cyclohexan-1-ol
CID 134547011
cis-(1R,2S)-2-(methylamino)cyclononan-1-ol
CID 138485260
trans-(1S,2S)-2-[(5-methylthiophen-2-yl)methylamino]cyclohexan-1-ol
CID 94339567
trans-(1R,2R)-2-(3-bromo-2-methylanilino)cyclohexan-1-ol
CID 107633800
trans-(1R,2R)-2-[(5-methylthiophen-2-yl)methylamino]cyclohexan-1-ol
CID 94339568
2-[(4-methylphenyl)methylamino]cyclohexan-1-ol
CID 60714627
2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol
CID 102731599
(1R)-2-(2-methylpyrrol-1-yl)cyclohexan-1-ol
CID 146559384

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylpyrrol-1-yl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(2,5-dimethylpyrrol-1-yl)amino]cyclohexan-1-ol (CID 79100005) is 2-[(2,5-dimethylpyrrol-1-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(2,5-dimethylpyrrol-1-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(2,5-dimethylpyrrol-1-yl)amino]cyclohexan-1-ol is Cc1ccc(C)n1NC1CCCCC1O.
What is the InChIKey of 2-[(2,5-dimethylpyrrol-1-yl)amino]cyclohexan-1-ol?
The InChIKey is MJODPAJACSDDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-7-8-10(2)14(9)13-11-5-3-4-6-12(11)15/h7-8,11-13,15H,3-6H2,1-2H3.
What are the key properties of 2-[(2,5-dimethylpyrrol-1-yl)amino]cyclohexan-1-ol?
2-[(2,5-dimethylpyrrol-1-yl)amino]cyclohexan-1-ol has a molecular weight of 208.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylpyrrol-1-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 79100005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).