2-methyl-2-[(1-propylimidazol-2-yl)methyl]azepane

C14H25N3 — CID 79761287

IUPAC2-methyl-2-[(1-propylimidazol-2-yl)methyl]azepane
SMILESCCCn1ccnc1CC1(C)CCCCCN1
InChIInChI=1S/C14H25N3/c1-3-10-17-11-9-15-13(17)12-14(2)7-5-4-6-8-16-14/h9,11,16H,3-8,10,12H2,1-2H3
InChIKeyLVCSFOXAJJSBSG-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.76
Rot. Bonds4

About 2-methyl-2-[(1-propylimidazol-2-yl)methyl]azepane

2-methyl-2-[(1-propylimidazol-2-yl)methyl]azepane (PubChem CID 79761287) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-methyl-2-[(1-propylimidazol-2-yl)methyl]azepane.

Molecular Properties

Compound Name2-methyl-2-[(1-propylimidazol-2-yl)methyl]azepane
PubChem CID79761287
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-methyl-2-[(1-propylimidazol-2-yl)methyl]azepane
SMILESCCCn1ccnc1CC1(C)CCCCCN1
InChIInChI=1S/C14H25N3/c1-3-10-17-11-9-15-13(17)12-14(2)7-5-4-6-8-16-14/h9,11,16H,3-8,10,12H2,1-2H3
InChIKeyLVCSFOXAJJSBSG-UHFFFAOYSA-N
XLogP2.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744670
1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone
CID 103449553
1-[1-(dimethylamino)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone
CID 79744387
1-[1-(aminomethyl)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone
CID 116600658
2-tert-butyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744341
2-methyl-2-(pyridin-2-ylmethyl)azepane
CID 79118895
1-methyl-2-[(2-propylpyrrolidin-2-yl)methyl]imidazole
CID 79760630
1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744578
3-methyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744716
3-[(1-ethylimidazol-2-yl)methyl]-3-fluoropiperidine
CID 112563016
1-(4,4-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79752511
1-(2,2-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 107189998

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-propylimidazol-2-yl)methyl]azepane?
The IUPAC name of 2-methyl-2-[(1-propylimidazol-2-yl)methyl]azepane (CID 79761287) is 2-methyl-2-[(1-propylimidazol-2-yl)methyl]azepane.
What is the SMILES notation for 2-methyl-2-[(1-propylimidazol-2-yl)methyl]azepane?
The canonical SMILES for 2-methyl-2-[(1-propylimidazol-2-yl)methyl]azepane is CCCn1ccnc1CC1(C)CCCCCN1.
What is the InChIKey of 2-methyl-2-[(1-propylimidazol-2-yl)methyl]azepane?
The InChIKey is LVCSFOXAJJSBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-10-17-11-9-15-13(17)12-14(2)7-5-4-6-8-16-14/h9,11,16H,3-8,10,12H2,1-2H3.
What are the key properties of 2-methyl-2-[(1-propylimidazol-2-yl)methyl]azepane?
2-methyl-2-[(1-propylimidazol-2-yl)methyl]azepane has a molecular weight of 235.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-propylimidazol-2-yl)methyl]azepane is sourced from PubChem (CID 79761287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).