1-[1-(aminomethyl)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone

C15H25N3O — CID 116600658

IUPAC1-[1-(aminomethyl)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)C1(CN)CCCCC1
InChIInChI=1S/C15H25N3O/c1-2-9-18-10-8-17-14(18)11-13(19)15(12-16)6-4-3-5-7-15/h8,10H,2-7,9,11-12,16H2,1H3
InChIKeyMKHTZVNSYCQDGF-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.31
Rot. Bonds6

About 1-[1-(aminomethyl)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone

1-[1-(aminomethyl)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone (PubChem CID 116600658) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone
PubChem CID116600658
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[1-(aminomethyl)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)C1(CN)CCCCC1
InChIInChI=1S/C15H25N3O/c1-2-9-18-10-8-17-14(18)11-13(19)15(12-16)6-4-3-5-7-15/h8,10H,2-7,9,11-12,16H2,1H3
InChIKeyMKHTZVNSYCQDGF-UHFFFAOYSA-N
XLogP2.31
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone
CID 103449553
1-[1-(dimethylamino)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone
CID 79744387
2-(1-ethylimidazol-2-yl)-1-(1-hydroxycyclohexyl)ethanone
CID 103449747
1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744670
5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116594917
1-(1-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 116598354
1-(2-aminoethoxy)-3-(1-propylimidazol-2-yl)propan-2-one
CID 116590952
[1-(aminomethyl)-4-methylcyclohexyl]-(1-propylimidazol-2-yl)methanone
CID 116604170
3-amino-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116584036
2-methyl-2-[(1-propylimidazol-2-yl)methyl]azepane
CID 79761287
3-(aminomethyl)-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116610902
5-(2-aminoethyl)-1-(1-propylimidazol-2-yl)octan-2-one
CID 116582877

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone?
The IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone (CID 116600658) is 1-[1-(aminomethyl)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-[1-(aminomethyl)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone?
The canonical SMILES for 1-[1-(aminomethyl)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone is CCCn1ccnc1CC(=O)C1(CN)CCCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone?
The InChIKey is MKHTZVNSYCQDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-9-18-10-8-17-14(18)11-13(19)15(12-16)6-4-3-5-7-15/h8,10H,2-7,9,11-12,16H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone?
1-[1-(aminomethyl)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone has a molecular weight of 263.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone is sourced from PubChem (CID 116600658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).