2-(aminomethyl)-3-(3-cyclopropylimidazol-4-yl)-N-propylpropanamide

C13H22N4O — CID 66163689

IUPAC2-(aminomethyl)-3-(3-cyclopropylimidazol-4-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(CN)Cc1cncn1C1CC1
InChIInChI=1S/C13H22N4O/c1-2-5-16-13(18)10(7-14)6-12-8-15-9-17(12)11-3-4-11/h8-11H,2-7,14H2,1H3,(H,16,18)
InChIKeyXKKJXWDVRKAHMZ-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.86
Rot. Bonds7

About 2-(aminomethyl)-3-(3-cyclopropylimidazol-4-yl)-N-propylpropanamide

2-(aminomethyl)-3-(3-cyclopropylimidazol-4-yl)-N-propylpropanamide (PubChem CID 66163689) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(3-cyclopropylimidazol-4-yl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-(3-cyclopropylimidazol-4-yl)-N-propylpropanamide
PubChem CID66163689
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(aminomethyl)-3-(3-cyclopropylimidazol-4-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(CN)Cc1cncn1C1CC1
InChIInChI=1S/C13H22N4O/c1-2-5-16-13(18)10(7-14)6-12-8-15-9-17(12)11-3-4-11/h8-11H,2-7,14H2,1H3,(H,16,18)
InChIKeyXKKJXWDVRKAHMZ-UHFFFAOYSA-N
XLogP0.86
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-cyclopropyl-3-(3-ethylimidazol-4-yl)propanamide
CID 66135433
1-(3-cyclopropylimidazol-4-yl)-N-propylethane-1,2-diamine
CID 66141019
N-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide
CID 66162278
2-[(3-cyclopropylimidazol-4-yl)methylamino]ethylurea
CID 83109168
3-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylpropanamide
CID 113409676
4-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylbenzamide
CID 66164704
2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)-N-propylpropanamide
CID 83090697
(2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid
CID 83194284
2-(3-cyclopropylimidazol-4-yl)-2-(propylamino)ethanol
CID 66141261
[3-(4-methylcyclohexyl)imidazol-4-yl]methanol
CID 66150398
2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 113405061
1-(3-cyclohexylimidazol-4-yl)propan-2-one
CID 83882909

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(3-cyclopropylimidazol-4-yl)-N-propylpropanamide?
The IUPAC name of 2-(aminomethyl)-3-(3-cyclopropylimidazol-4-yl)-N-propylpropanamide (CID 66163689) is 2-(aminomethyl)-3-(3-cyclopropylimidazol-4-yl)-N-propylpropanamide.
What is the SMILES notation for 2-(aminomethyl)-3-(3-cyclopropylimidazol-4-yl)-N-propylpropanamide?
The canonical SMILES for 2-(aminomethyl)-3-(3-cyclopropylimidazol-4-yl)-N-propylpropanamide is CCCNC(=O)C(CN)Cc1cncn1C1CC1.
What is the InChIKey of 2-(aminomethyl)-3-(3-cyclopropylimidazol-4-yl)-N-propylpropanamide?
The InChIKey is XKKJXWDVRKAHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-5-16-13(18)10(7-14)6-12-8-15-9-17(12)11-3-4-11/h8-11H,2-7,14H2,1H3,(H,16,18).
What are the key properties of 2-(aminomethyl)-3-(3-cyclopropylimidazol-4-yl)-N-propylpropanamide?
2-(aminomethyl)-3-(3-cyclopropylimidazol-4-yl)-N-propylpropanamide has a molecular weight of 250.35 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(3-cyclopropylimidazol-4-yl)-N-propylpropanamide is sourced from PubChem (CID 66163689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).