3-(aminomethyl)-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one

C13H23N3O — CID 116610902

IUPAC3-(aminomethyl)-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
SMILESCCCn1ccnc1CC(=O)C(C)(CC)CN
InChIInChI=1S/C13H23N3O/c1-4-7-16-8-6-15-12(16)9-11(17)13(3,5-2)10-14/h6,8H,4-5,7,9-10,14H2,1-3H3
InChIKeyZRWDVKHYLRZKAZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.78
Rot. Bonds7

About 3-(aminomethyl)-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one

3-(aminomethyl)-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one (PubChem CID 116610902) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-(aminomethyl)-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
PubChem CID116610902
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-(aminomethyl)-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
SMILESCCCn1ccnc1CC(=O)C(C)(CC)CN
InChIInChI=1S/C13H23N3O/c1-4-7-16-8-6-15-12(16)9-11(17)13(3,5-2)10-14/h6,8H,4-5,7,9-10,14H2,1-3H3
InChIKeyZRWDVKHYLRZKAZ-UHFFFAOYSA-N
XLogP1.78
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-3-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-one
CID 116610858
5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one
CID 116571370
3-amino-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116584036
5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116594917
4-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116612267
2-(aminomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 114290676
1-(2-aminoethoxy)-3-(1-propylimidazol-2-yl)propan-2-one
CID 116590952
3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one
CID 103452891
2-(aminomethyl)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one
CID 116610931
(E)-1-(1-propylimidazol-2-yl)pent-3-en-2-one
CID 103453243
1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 22938877
3-methoxy-1-(1-propylimidazol-2-yl)hexan-2-one
CID 116708178

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one?
The IUPAC name of 3-(aminomethyl)-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one (CID 116610902) is 3-(aminomethyl)-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one.
What is the SMILES notation for 3-(aminomethyl)-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one?
The canonical SMILES for 3-(aminomethyl)-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one is CCCn1ccnc1CC(=O)C(C)(CC)CN.
What is the InChIKey of 3-(aminomethyl)-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one?
The InChIKey is ZRWDVKHYLRZKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-7-16-8-6-15-12(16)9-11(17)13(3,5-2)10-14/h6,8H,4-5,7,9-10,14H2,1-3H3.
What are the key properties of 3-(aminomethyl)-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one?
3-(aminomethyl)-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one has a molecular weight of 237.35 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one is sourced from PubChem (CID 116610902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).