1-(3-cyclopropylpropyl)-2-propan-2-ylimidazole

C12H20N2 — CID 167916960

IUPAC1-(3-cyclopropylpropyl)-2-propan-2-ylimidazole
SMILESCC(C)c1nccn1CCCC1CC1
InChIInChI=1S/C12H20N2/c1-10(2)12-13-7-9-14(12)8-3-4-11-5-6-11/h7,9-11H,3-6,8H2,1-2H3
InChIKeyKCFSYYVQYSMZMM-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.20
Rot. Bonds5

About 1-(3-cyclopropylpropyl)-2-propan-2-ylimidazole

1-(3-cyclopropylpropyl)-2-propan-2-ylimidazole (PubChem CID 167916960) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(3-cyclopropylpropyl)-2-propan-2-ylimidazole.

Molecular Properties

Compound Name1-(3-cyclopropylpropyl)-2-propan-2-ylimidazole
PubChem CID167916960
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-(3-cyclopropylpropyl)-2-propan-2-ylimidazole
SMILESCC(C)c1nccn1CCCC1CC1
InChIInChI=1S/C12H20N2/c1-10(2)12-13-7-9-14(12)8-3-4-11-5-6-11/h7,9-11H,3-6,8H2,1-2H3
InChIKeyKCFSYYVQYSMZMM-UHFFFAOYSA-N
XLogP3.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-2-propan-2-ylimidazole
CID 11506521
1-(3-cyclopropylpropyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106582547
3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide
CID 17139034
1-(5-chloropentyl)-2-propan-2-ylimidazole
CID 43168520
1-(3-ethoxypropyl)-2-propan-2-ylimidazole
CID 65177942
N-methyl-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine
CID 61387413
1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole
CID 65097353
1-(2-fluoroethyl)-2-propan-2-ylimidazole
CID 80694983
N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexanamine
CID 55087304
N-(cyclohexylmethyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
CID 62562843
4-methyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexan-1-amine
CID 62563536
2-(cyclopropylamino)-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806565

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylpropyl)-2-propan-2-ylimidazole?
The IUPAC name of 1-(3-cyclopropylpropyl)-2-propan-2-ylimidazole (CID 167916960) is 1-(3-cyclopropylpropyl)-2-propan-2-ylimidazole.
What is the SMILES notation for 1-(3-cyclopropylpropyl)-2-propan-2-ylimidazole?
The canonical SMILES for 1-(3-cyclopropylpropyl)-2-propan-2-ylimidazole is CC(C)c1nccn1CCCC1CC1.
What is the InChIKey of 1-(3-cyclopropylpropyl)-2-propan-2-ylimidazole?
The InChIKey is KCFSYYVQYSMZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-10(2)12-13-7-9-14(12)8-3-4-11-5-6-11/h7,9-11H,3-6,8H2,1-2H3.
What are the key properties of 1-(3-cyclopropylpropyl)-2-propan-2-ylimidazole?
1-(3-cyclopropylpropyl)-2-propan-2-ylimidazole has a molecular weight of 192.31 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylpropyl)-2-propan-2-ylimidazole is sourced from PubChem (CID 167916960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).