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

C9H14ClN3 — CID 62398136

IUPACN-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylcyclopropan-1-amine
SMILESCC1CC1NCc1ncc(Cl)n1C
InChIInChI=1S/C9H14ClN3/c1-6-3-7(6)11-5-9-12-4-8(10)13(9)2/h4,6-7,11H,3,5H2,1-2H3
InChIKeyXRAFCBPKEOCQPB-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.57
Rot. Bonds3

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

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylcyclopropan-1-amine (PubChem CID 62398136) has the molecular formula C9H14ClN3 and a molecular weight of 199.68 g/mol. Its IUPAC name is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylcyclopropan-1-amine
PubChem CID62398136
Molecular FormulaC9H14ClN3
Molecular Weight199.68 g/mol
Exact Mass199.09
IUPAC NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylcyclopropan-1-amine
SMILESCC1CC1NCc1ncc(Cl)n1C
InChIInChI=1S/C9H14ClN3/c1-6-3-7(6)11-5-9-12-4-8(10)13(9)2/h4,6-7,11H,3,5H2,1-2H3
InChIKeyXRAFCBPKEOCQPB-UHFFFAOYSA-N
XLogP1.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylcyclopropan-1-amine?
The IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylcyclopropan-1-amine (CID 62398136) is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylcyclopropan-1-amine.
What is the SMILES notation for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylcyclopropan-1-amine?
The canonical SMILES for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylcyclopropan-1-amine is CC1CC1NCc1ncc(Cl)n1C.
What is the InChIKey of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylcyclopropan-1-amine?
The InChIKey is XRAFCBPKEOCQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-6-3-7(6)11-5-9-12-4-8(10)13(9)2/h4,6-7,11H,3,5H2,1-2H3.
What are the key properties of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylcyclopropan-1-amine?
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylcyclopropan-1-amine has a molecular weight of 199.68 g/mol, XLogP of 1.57, 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]-2-methylcyclopropan-1-amine is sourced from PubChem (CID 62398136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).