2-(aminomethyl)-4-methyl-1-(1-propylimidazol-2-yl)pentan-1-one

C13H23N3O — CID 116598013

IUPAC2-(aminomethyl)-4-methyl-1-(1-propylimidazol-2-yl)pentan-1-one
SMILESCCCn1ccnc1C(=O)C(CN)CC(C)C
InChIInChI=1S/C13H23N3O/c1-4-6-16-7-5-15-13(16)12(17)11(9-14)8-10(2)3/h5,7,10-11H,4,6,8-9,14H2,1-3H3
InChIKeyZTOLBBVXYUELGF-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.10
Rot. Bonds7

About 2-(aminomethyl)-4-methyl-1-(1-propylimidazol-2-yl)pentan-1-one

2-(aminomethyl)-4-methyl-1-(1-propylimidazol-2-yl)pentan-1-one (PubChem CID 116598013) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-1-(1-propylimidazol-2-yl)pentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-1-(1-propylimidazol-2-yl)pentan-1-one
PubChem CID116598013
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(aminomethyl)-4-methyl-1-(1-propylimidazol-2-yl)pentan-1-one
SMILESCCCn1ccnc1C(=O)C(CN)CC(C)C
InChIInChI=1S/C13H23N3O/c1-4-6-16-7-5-15-13(16)12(17)11(9-14)8-10(2)3/h5,7,10-11H,4,6,8-9,14H2,1-3H3
InChIKeyZTOLBBVXYUELGF-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-1-(1-ethylimidazol-2-yl)pentan-1-one
CID 116574576
2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone
CID 112574278
2-(aminomethyl)-4-methyl-1-(2-propylpyrazol-3-yl)pentan-1-one
CID 116597901
2-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-1-one
CID 116593833
(E)-2-ethyl-1-(1-propylimidazol-2-yl)but-2-en-1-one
CID 103447433
1-(1-propylimidazol-2-yl)pentan-1-one
CID 79404906
3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-one
CID 105100693
2-methoxy-1-(1-propylimidazol-2-yl)ethanone
CID 63977312
(2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone
CID 61316276
2-(3-chlorophenoxy)-1-(1-propylimidazol-2-yl)propan-1-one
CID 105100675
4-hydroxy-1-(1-propylimidazol-2-yl)butan-1-one
CID 106677480
(E)-1-(1-propylimidazol-2-yl)pent-2-en-1-one
CID 103454256

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-1-(1-propylimidazol-2-yl)pentan-1-one?
The IUPAC name of 2-(aminomethyl)-4-methyl-1-(1-propylimidazol-2-yl)pentan-1-one (CID 116598013) is 2-(aminomethyl)-4-methyl-1-(1-propylimidazol-2-yl)pentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-1-(1-propylimidazol-2-yl)pentan-1-one?
The canonical SMILES for 2-(aminomethyl)-4-methyl-1-(1-propylimidazol-2-yl)pentan-1-one is CCCn1ccnc1C(=O)C(CN)CC(C)C.
What is the InChIKey of 2-(aminomethyl)-4-methyl-1-(1-propylimidazol-2-yl)pentan-1-one?
The InChIKey is ZTOLBBVXYUELGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-6-16-7-5-15-13(16)12(17)11(9-14)8-10(2)3/h5,7,10-11H,4,6,8-9,14H2,1-3H3.
What are the key properties of 2-(aminomethyl)-4-methyl-1-(1-propylimidazol-2-yl)pentan-1-one?
2-(aminomethyl)-4-methyl-1-(1-propylimidazol-2-yl)pentan-1-one has a molecular weight of 237.35 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-1-(1-propylimidazol-2-yl)pentan-1-one is sourced from PubChem (CID 116598013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).