[1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine

C9H15N3 — CID 126971916

IUPAC[1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine
SMILESCn1ccnc1CC1(CN)CC1
InChIInChI=1S/C9H15N3/c1-12-5-4-11-8(12)6-9(7-10)2-3-9/h4-5H,2-3,6-7,10H2,1H3
InChIKeyKRPUKKBDBNHMMF-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.70
Rot. Bonds3

About [1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine

[1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine (PubChem CID 126971916) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is [1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine
PubChem CID126971916
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name[1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine
SMILESCn1ccnc1CC1(CN)CC1
InChIInChI=1S/C9H15N3/c1-12-5-4-11-8(12)6-9(7-10)2-3-9/h4-5H,2-3,6-7,10H2,1H3
InChIKeyKRPUKKBDBNHMMF-UHFFFAOYSA-N
XLogP0.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylimidazol-2-yl)methyl]thiolan-3-ol
CID 79949548
1-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-sulfonyl chloride
CID 165495642
2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol
CID 130555001
2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 81173284
3-amino-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
CID 80562581
[1-(1-methylimidazol-2-yl)cyclopropyl]methanamine
CID 82026897
3-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79744063
1-(aminomethyl)-N,4-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 114527361
[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]methanamine
CID 114528906
1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 79744907
4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxan-4-amine
CID 55149213
2-[(2-ethylpyrrolidin-2-yl)methyl]-1-methylimidazole
CID 79760494

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine?
The IUPAC name of [1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine (CID 126971916) is [1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine is Cn1ccnc1CC1(CN)CC1.
What is the InChIKey of [1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine?
The InChIKey is KRPUKKBDBNHMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-12-5-4-11-8(12)6-9(7-10)2-3-9/h4-5H,2-3,6-7,10H2,1H3.
What are the key properties of [1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine?
[1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine has a molecular weight of 165.24 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine is sourced from PubChem (CID 126971916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).