3-butyl-5-(3-cyclopropylimidazol-4-yl)imidazol-4-amine

C13H19N5 — CID 66161913

IUPAC3-butyl-5-(3-cyclopropylimidazol-4-yl)imidazol-4-amine
SMILESCCCCn1cnc(-c2cncn2C2CC2)c1N
InChIInChI=1S/C13H19N5/c1-2-3-6-17-9-16-12(13(17)14)11-7-15-8-18(11)10-4-5-10/h7-10H,2-6,14H2,1H3
InChIKeyAVSRWZSWVRFILY-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.46
Rot. Bonds5

About 3-butyl-5-(3-cyclopropylimidazol-4-yl)imidazol-4-amine

3-butyl-5-(3-cyclopropylimidazol-4-yl)imidazol-4-amine (PubChem CID 66161913) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-butyl-5-(3-cyclopropylimidazol-4-yl)imidazol-4-amine.

Molecular Properties

Compound Name3-butyl-5-(3-cyclopropylimidazol-4-yl)imidazol-4-amine
PubChem CID66161913
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-butyl-5-(3-cyclopropylimidazol-4-yl)imidazol-4-amine
SMILESCCCCn1cnc(-c2cncn2C2CC2)c1N
InChIInChI=1S/C13H19N5/c1-2-3-6-17-9-16-12(13(17)14)11-7-15-8-18(11)10-4-5-10/h7-10H,2-6,14H2,1H3
InChIKeyAVSRWZSWVRFILY-UHFFFAOYSA-N
XLogP2.46
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-butyl-5-(3-cyclopropylimidazol-4-yl)-2-propylimidazol-4-amine
CID 66161916
5-(3-cyclopropylimidazol-4-yl)-2-propyl-3-prop-2-ynylimidazol-4-amine
CID 66162116
5-(3-cyclopropylimidazol-4-yl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine
CID 66164499
5-(3-cyclopropylimidazol-4-yl)-2-ethyl-3-prop-2-ynylimidazol-4-amine
CID 66164696
3-cyclopropyl-5-(3-cyclopropylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine
CID 66162715
4-(3-cyclopropylimidazol-4-yl)-2-propan-2-ylimidazole-1,5-diamine
CID 66163524
4-(3-propylimidazol-4-yl)imidazole-1,5-diamine
CID 66131156
5-bromo-2-(3-cyclopropylimidazol-4-yl)-6-propylpyrimidin-4-amine
CID 66295944
3-butyl-5-(3,5-dimethoxyphenyl)imidazol-4-amine
CID 62019424
2-(3-cyclopropylimidazol-4-yl)-6-ethylpyrimidin-4-amine
CID 66161729
6-(3-cyclopropylimidazol-4-yl)-5-ethyl-4,5-dihydropyridazin-3-amine
CID 66164739
5-(3-bromophenyl)-3-butylimidazol-4-amine
CID 62017743

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(3-cyclopropylimidazol-4-yl)imidazol-4-amine?
The IUPAC name of 3-butyl-5-(3-cyclopropylimidazol-4-yl)imidazol-4-amine (CID 66161913) is 3-butyl-5-(3-cyclopropylimidazol-4-yl)imidazol-4-amine.
What is the SMILES notation for 3-butyl-5-(3-cyclopropylimidazol-4-yl)imidazol-4-amine?
The canonical SMILES for 3-butyl-5-(3-cyclopropylimidazol-4-yl)imidazol-4-amine is CCCCn1cnc(-c2cncn2C2CC2)c1N.
What is the InChIKey of 3-butyl-5-(3-cyclopropylimidazol-4-yl)imidazol-4-amine?
The InChIKey is AVSRWZSWVRFILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-2-3-6-17-9-16-12(13(17)14)11-7-15-8-18(11)10-4-5-10/h7-10H,2-6,14H2,1H3.
What are the key properties of 3-butyl-5-(3-cyclopropylimidazol-4-yl)imidazol-4-amine?
3-butyl-5-(3-cyclopropylimidazol-4-yl)imidazol-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(3-cyclopropylimidazol-4-yl)imidazol-4-amine is sourced from PubChem (CID 66161913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).