1-cyclopropyl-N-(4-imidazol-1-ylbutyl)-4-methylimidazol-2-amine

C14H21N5 — CID 106565967

IUPAC1-cyclopropyl-N-(4-imidazol-1-ylbutyl)-4-methylimidazol-2-amine
SMILESCc1cn(C2CC2)c(NCCCCn2ccnc2)n1
InChIInChI=1S/C14H21N5/c1-12-10-19(13-4-5-13)14(17-12)16-6-2-3-8-18-9-7-15-11-18/h7,9-11,13H,2-6,8H2,1H3,(H,16,17)
InChIKeyCMCJSUIOVAYUEH-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.62
Rot. Bonds7

About 1-cyclopropyl-N-(4-imidazol-1-ylbutyl)-4-methylimidazol-2-amine

1-cyclopropyl-N-(4-imidazol-1-ylbutyl)-4-methylimidazol-2-amine (PubChem CID 106565967) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 1-cyclopropyl-N-(4-imidazol-1-ylbutyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(4-imidazol-1-ylbutyl)-4-methylimidazol-2-amine
PubChem CID106565967
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name1-cyclopropyl-N-(4-imidazol-1-ylbutyl)-4-methylimidazol-2-amine
SMILESCc1cn(C2CC2)c(NCCCCn2ccnc2)n1
InChIInChI=1S/C14H21N5/c1-12-10-19(13-4-5-13)14(17-12)16-6-2-3-8-18-9-7-15-11-18/h7,9-11,13H,2-6,8H2,1H3,(H,16,17)
InChIKeyCMCJSUIOVAYUEH-UHFFFAOYSA-N
XLogP2.62
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-N-hexyl-4-methylimidazol-2-amine
CID 106573799
N-(4-imidazol-1-ylbutyl)-3,6-dimethylpyrazin-2-amine
CID 65416898
N-[2-[(1-cyclopropyl-4-methylimidazol-2-yl)amino]ethyl]acetamide
CID 106562369
1-butyl-N-(2-imidazol-1-ylethyl)-4-methylimidazol-2-amine
CID 106569258
1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106554998
2-(4-imidazol-1-ylbutylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544221
N-(2-imidazol-1-ylethyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106569292
N-(3-imidazol-1-ylpropyl)-1-methylimidazol-2-amine
CID 62132911
1-cyclohexyl-4-methyl-N-(3-methylbutyl)imidazol-2-amine
CID 106557289
N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
CID 62960707
1-cyclohexyl-N-(2-imidazol-1-ylethyl)imidazol-2-amine
CID 106569297
4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine
CID 55124703

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(4-imidazol-1-ylbutyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-cyclopropyl-N-(4-imidazol-1-ylbutyl)-4-methylimidazol-2-amine (CID 106565967) is 1-cyclopropyl-N-(4-imidazol-1-ylbutyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-(4-imidazol-1-ylbutyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-cyclopropyl-N-(4-imidazol-1-ylbutyl)-4-methylimidazol-2-amine is Cc1cn(C2CC2)c(NCCCCn2ccnc2)n1.
What is the InChIKey of 1-cyclopropyl-N-(4-imidazol-1-ylbutyl)-4-methylimidazol-2-amine?
The InChIKey is CMCJSUIOVAYUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-12-10-19(13-4-5-13)14(17-12)16-6-2-3-8-18-9-7-15-11-18/h7,9-11,13H,2-6,8H2,1H3,(H,16,17).
What are the key properties of 1-cyclopropyl-N-(4-imidazol-1-ylbutyl)-4-methylimidazol-2-amine?
1-cyclopropyl-N-(4-imidazol-1-ylbutyl)-4-methylimidazol-2-amine has a molecular weight of 259.36 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(4-imidazol-1-ylbutyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106565967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).