2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptan-1-ol

C13H23N3O — CID 63026805

IUPAC2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptan-1-ol
SMILESCN(Cc1nccn1C)C1CCCCCC1O
InChIInChI=1S/C13H23N3O/c1-15-9-8-14-13(15)10-16(2)11-6-4-3-5-7-12(11)17/h8-9,11-12,17H,3-7,10H2,1-2H3
InChIKeyHVZBWBCUJGWARN-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.55
Rot. Bonds3

About 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptan-1-ol

2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptan-1-ol (PubChem CID 63026805) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptan-1-ol
PubChem CID63026805
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptan-1-ol
SMILESCN(Cc1nccn1C)C1CCCCCC1O
InChIInChI=1S/C13H23N3O/c1-15-9-8-14-13(15)10-16(2)11-6-4-3-5-7-12(11)17/h8-9,11-12,17H,3-7,10H2,1-2H3
InChIKeyHVZBWBCUJGWARN-UHFFFAOYSA-N
XLogP1.55
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptane-1-carboxylic acid
CID 55179736
2-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cycloheptane-1,2-diamine
CID 63013410
(1S,2R,6S)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-6-phenoxycyclohexan-1-ol
CID 110146419
1-N,3,3-trimethyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1,2-diamine
CID 79859996
N-methyl-2-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 80998325
N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 81458667
N-methyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine
CID 63904236
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propylaminomethyl)cyclobutan-1-amine
CID 80998324
2-(aminomethyl)-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 63013726
3-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1,3-diamine
CID 79618941
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentan-1-one
CID 79643169
2-cyclopropyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]guanidine
CID 63025121

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptan-1-ol?
The IUPAC name of 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptan-1-ol (CID 63026805) is 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptan-1-ol.
What is the SMILES notation for 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptan-1-ol?
The canonical SMILES for 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptan-1-ol is CN(Cc1nccn1C)C1CCCCCC1O.
What is the InChIKey of 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptan-1-ol?
The InChIKey is HVZBWBCUJGWARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-15-9-8-14-13(15)10-16(2)11-6-4-3-5-7-12(11)17/h8-9,11-12,17H,3-7,10H2,1-2H3.
What are the key properties of 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptan-1-ol?
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptan-1-ol is sourced from PubChem (CID 63026805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).