N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylcyclopentan-1-amine

C11H18ClN3 — CID 115653164

IUPACN-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(NCc2ncc(Cl)n2C)C1
InChIInChI=1S/C11H18ClN3/c1-8-3-4-9(5-8)13-7-11-14-6-10(12)15(11)2/h6,8-9,13H,3-5,7H2,1-2H3
InChIKeyVVPUHWDDOUPMLA-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.35
Rot. Bonds3

About N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylcyclopentan-1-amine

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylcyclopentan-1-amine (PubChem CID 115653164) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylcyclopentan-1-amine
PubChem CID115653164
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(NCc2ncc(Cl)n2C)C1
InChIInChI=1S/C11H18ClN3/c1-8-3-4-9(5-8)13-7-11-14-6-10(12)15(11)2/h6,8-9,13H,3-5,7H2,1-2H3
InChIKeyVVPUHWDDOUPMLA-UHFFFAOYSA-N
XLogP2.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chloro-1-methylimidazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 55148655
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylcyclopropan-1-amine
CID 62398136
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-propylpiperidin-4-amine
CID 60695637
3-methyl-N-[(4-methyl-3-pyridinyl)methyl]cyclopentan-1-amine
CID 114544009
3-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine
CID 114699208
[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]cyclohexyl]methanol
CID 113442476
3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclopentan-1-amine
CID 114544080
3-methyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 62955948
N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 107696313
N-[[5-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 60881433
1-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426766
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43217592

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylcyclopentan-1-amine?
The IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylcyclopentan-1-amine (CID 115653164) is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylcyclopentan-1-amine is CC1CCC(NCc2ncc(Cl)n2C)C1.
What is the InChIKey of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylcyclopentan-1-amine?
The InChIKey is VVPUHWDDOUPMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-8-3-4-9(5-8)13-7-11-14-6-10(12)15(11)2/h6,8-9,13H,3-5,7H2,1-2H3.
What are the key properties of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylcyclopentan-1-amine?
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylcyclopentan-1-amine has a molecular weight of 227.74 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 115653164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).