3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]cyclohexan-1-ol

C14H24N2O — CID 55080709

IUPAC3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]cyclohexan-1-ol
SMILESCc1cc(CNC2CCCC(O)C2)c(C)n1C
InChIInChI=1S/C14H24N2O/c1-10-7-12(11(2)16(10)3)9-15-13-5-4-6-14(17)8-13/h7,13-15,17H,4-6,8-9H2,1-3H3
InChIKeyZZBYRDRYPKDECI-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.04
Rot. Bonds3

About 3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]cyclohexan-1-ol

3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]cyclohexan-1-ol (PubChem CID 55080709) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]cyclohexan-1-ol
PubChem CID55080709
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]cyclohexan-1-ol
SMILESCc1cc(CNC2CCCC(O)C2)c(C)n1C
InChIInChI=1S/C14H24N2O/c1-10-7-12(11(2)16(10)3)9-15-13-5-4-6-14(17)8-13/h7,13-15,17H,4-6,8-9H2,1-3H3
InChIKeyZZBYRDRYPKDECI-UHFFFAOYSA-N
XLogP2.04
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 54971817
2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]cyclopentan-1-amine
CID 62474062
3-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 54983316
3-[(2,5-difluorophenyl)methylamino]cyclohexan-1-ol
CID 43751094
2,6-dichloro-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol
CID 149151176
4-bromo-2-[[[(1R,3S)-3-hydroxycyclohexyl]amino]methyl]phenol
CID 22801896
N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]cyclopropanamine
CID 82491124
3-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
CID 63002126
3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 115600762
cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol
CID 155506980
methyl 3-[[(3-hydroxycyclohexyl)amino]methyl]furan-2-carboxylate
CID 43792335
3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 43792280

Frequently Asked Questions

What is the IUPAC name of 3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]cyclohexan-1-ol (CID 55080709) is 3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]cyclohexan-1-ol is Cc1cc(CNC2CCCC(O)C2)c(C)n1C.
What is the InChIKey of 3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]cyclohexan-1-ol?
The InChIKey is ZZBYRDRYPKDECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10-7-12(11(2)16(10)3)9-15-13-5-4-6-14(17)8-13/h7,13-15,17H,4-6,8-9H2,1-3H3.
What are the key properties of 3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]cyclohexan-1-ol?
3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]cyclohexan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 55080709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).