[1-(aminomethyl)-4-methylcyclohexyl]-(1-propylimidazol-2-yl)methanone

C15H25N3O — CID 116604170

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)C1(CN)CCC(C)CC1
InChIInChI=1S/C15H25N3O/c1-3-9-18-10-8-17-14(18)13(19)15(11-16)6-4-12(2)5-7-15/h8,10,12H,3-7,9,11,16H2,1-2H3
InChIKeyQSUCIGBSFAXJSW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.63
Rot. Bonds5

About [1-(aminomethyl)-4-methylcyclohexyl]-(1-propylimidazol-2-yl)methanone

[1-(aminomethyl)-4-methylcyclohexyl]-(1-propylimidazol-2-yl)methanone (PubChem CID 116604170) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-(1-propylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-(1-propylimidazol-2-yl)methanone
PubChem CID116604170
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)C1(CN)CCC(C)CC1
InChIInChI=1S/C15H25N3O/c1-3-9-18-10-8-17-14(18)13(19)15(11-16)6-4-12(2)5-7-15/h8,10,12H,3-7,9,11,16H2,1-2H3
InChIKeyQSUCIGBSFAXJSW-UHFFFAOYSA-N
XLogP2.63
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethoxy-4-methylcyclohexyl)-(1-propylimidazol-2-yl)methanone
CID 116749514
(1-propylimidazol-2-yl)-(4-propylpiperidin-4-yl)methanone
CID 116569222
(1-methoxycyclobutyl)-(1-propylimidazol-2-yl)methanone
CID 116706985
1-[1-(aminomethyl)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone
CID 116600658
(1-ethylcyclopentyl)-(1-ethylimidazol-2-yl)methanone
CID 114973020
[1-(aminomethyl)-4-methylcyclohexyl]-(2-amino-3-pyridinyl)methanone
CID 116604231
2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone
CID 112574278
[1-(aminomethyl)-4-methylcyclohexyl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 115442125
(3-methyloxolan-2-yl)-(1-propylimidazol-2-yl)methanone
CID 114972690
[1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone
CID 116604093
1-[1-(aminomethyl)-4-methylcyclohexyl]butan-1-one
CID 116604029
1-[1-hydroxy-2-(1-propylimidazol-2-yl)ethyl]-4-methylcyclohexan-1-ol
CID 103452429

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(1-propylimidazol-2-yl)methanone?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(1-propylimidazol-2-yl)methanone (CID 116604170) is [1-(aminomethyl)-4-methylcyclohexyl]-(1-propylimidazol-2-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-(1-propylimidazol-2-yl)methanone?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-(1-propylimidazol-2-yl)methanone is CCCn1ccnc1C(=O)C1(CN)CCC(C)CC1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-(1-propylimidazol-2-yl)methanone?
The InChIKey is QSUCIGBSFAXJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-9-18-10-8-17-14(18)13(19)15(11-16)6-4-12(2)5-7-15/h8,10,12H,3-7,9,11,16H2,1-2H3.
What are the key properties of [1-(aminomethyl)-4-methylcyclohexyl]-(1-propylimidazol-2-yl)methanone?
[1-(aminomethyl)-4-methylcyclohexyl]-(1-propylimidazol-2-yl)methanone has a molecular weight of 263.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-methylcyclohexyl]-(1-propylimidazol-2-yl)methanone is sourced from PubChem (CID 116604170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).