1-[(3-methylcyclobutyl)methyl]imidazol-2-amine

C9H15N3 — CID 165481541

IUPAC1-[(3-methylcyclobutyl)methyl]imidazol-2-amine
SMILESCC1CC(Cn2ccnc2N)C1
InChIInChI=1S/C9H15N3/c1-7-4-8(5-7)6-12-3-2-11-9(12)10/h2-3,7-8H,4-6H2,1H3,(H2,10,11)
InChIKeyGIDAGNNGBSHVDN-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.51
Rot. Bonds2

About 1-[(3-methylcyclobutyl)methyl]imidazol-2-amine

1-[(3-methylcyclobutyl)methyl]imidazol-2-amine (PubChem CID 165481541) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-[(3-methylcyclobutyl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-[(3-methylcyclobutyl)methyl]imidazol-2-amine
PubChem CID165481541
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-[(3-methylcyclobutyl)methyl]imidazol-2-amine
SMILESCC1CC(Cn2ccnc2N)C1
InChIInChI=1S/C9H15N3/c1-7-4-8(5-7)6-12-3-2-11-9(12)10/h2-3,7-8H,4-6H2,1H3,(H2,10,11)
InChIKeyGIDAGNNGBSHVDN-UHFFFAOYSA-N
XLogP1.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Butylimidazole
CID 61347
1-Decyl-3-methylimidazolium Bromide
CID 22078297
1-Octyl-3-methylimidazolium chloride
CID 2734223
1-Pentyl-1H-imidazole
CID 529334
1-Butyl-3-methylimidazolium chloride
CID 2734161
1-Dodecylimidazole
CID 78002
n-Propylimidazole
CID 118785
1-Hexyl-3-methylimidazolium chloride
CID 2734163
1-Decyl-3-methylimidazolium chloride
CID 2734225
1-Hexyl-3-methylimidazolium Iodide
CID 12036651
1-nonyl-1H-imidazole
CID 193906
1H-Imidazole, 1-hexyl-
CID 3015660

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylcyclobutyl)methyl]imidazol-2-amine?
The IUPAC name of 1-[(3-methylcyclobutyl)methyl]imidazol-2-amine (CID 165481541) is 1-[(3-methylcyclobutyl)methyl]imidazol-2-amine.
What is the SMILES notation for 1-[(3-methylcyclobutyl)methyl]imidazol-2-amine?
The canonical SMILES for 1-[(3-methylcyclobutyl)methyl]imidazol-2-amine is CC1CC(Cn2ccnc2N)C1.
What is the InChIKey of 1-[(3-methylcyclobutyl)methyl]imidazol-2-amine?
The InChIKey is GIDAGNNGBSHVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7-4-8(5-7)6-12-3-2-11-9(12)10/h2-3,7-8H,4-6H2,1H3,(H2,10,11).
What are the key properties of 1-[(3-methylcyclobutyl)methyl]imidazol-2-amine?
1-[(3-methylcyclobutyl)methyl]imidazol-2-amine has a molecular weight of 165.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylcyclobutyl)methyl]imidazol-2-amine is sourced from PubChem (CID 165481541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).