3-(2-cyclopropylimidazol-1-yl)propan-1-amine

C9H15N3 — CID 82558868

IUPAC3-(2-cyclopropylimidazol-1-yl)propan-1-amine
SMILESNCCCn1ccnc1C1CC1
InChIInChI=1S/C9H15N3/c10-4-1-6-12-7-5-11-9(12)8-2-3-8/h5,7-8H,1-4,6,10H2
InChIKeyUDJRIIDKTUCDRH-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.11
Rot. Bonds4

About 3-(2-cyclopropylimidazol-1-yl)propan-1-amine

3-(2-cyclopropylimidazol-1-yl)propan-1-amine (PubChem CID 82558868) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-(2-cyclopropylimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-cyclopropylimidazol-1-yl)propan-1-amine
PubChem CID82558868
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-(2-cyclopropylimidazol-1-yl)propan-1-amine
SMILESNCCCn1ccnc1C1CC1
InChIInChI=1S/C9H15N3/c10-4-1-6-12-7-5-11-9(12)8-2-3-8/h5,7-8H,1-4,6,10H2
InChIKeyUDJRIIDKTUCDRH-UHFFFAOYSA-N
XLogP1.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Imidazole-1-propanamine
CID 78736
1-Butyl-2,3-dimethylimidazolium chloride
CID 2734167
1,2-Dimethyl-3-propylimidazolium Iodide
CID 11459786
1-Butyl-2-methyl-1H-imidazole
CID 304622
1H-Imidazole, 2-(1-methylethyl)-
CID 123457
N-methyl-1-(1-methyl-1H-imidazol-2-yl)methanamine
CID 4962631
1-Butyl-2,3-dimethylimidazolium bromide
CID 2734241
4-(1H-imidazol-1-yl)butan-1-amine
CID 4379480
4-(2-(2-Methyl-1H-imidazol-1-yl)ethyl)piperidine
CID 6484685
3-(2-methyl-1H-imidazol-1-yl)propan-1-amine
CID 3152105
1-(Cyclopropylmethyl)-1H-imidazole
CID 44345498
2-(2-Methyl-1H-imidazol-1-yl)ethan-1-amine
CID 3157480

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylimidazol-1-yl)propan-1-amine?
The IUPAC name of 3-(2-cyclopropylimidazol-1-yl)propan-1-amine (CID 82558868) is 3-(2-cyclopropylimidazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(2-cyclopropylimidazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(2-cyclopropylimidazol-1-yl)propan-1-amine is NCCCn1ccnc1C1CC1.
What is the InChIKey of 3-(2-cyclopropylimidazol-1-yl)propan-1-amine?
The InChIKey is UDJRIIDKTUCDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c10-4-1-6-12-7-5-11-9(12)8-2-3-8/h5,7-8H,1-4,6,10H2.
What are the key properties of 3-(2-cyclopropylimidazol-1-yl)propan-1-amine?
3-(2-cyclopropylimidazol-1-yl)propan-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 82558868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).