3-methyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine

C14H25N3 — CID 79744716

IUPAC3-methyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
SMILESCCCn1ccnc1CC1(N)CCCC(C)C1
InChIInChI=1S/C14H25N3/c1-3-8-17-9-7-16-13(17)11-14(15)6-4-5-12(2)10-14/h7,9,12H,3-6,8,10-11,15H2,1-2H3
InChIKeyNWDWSHILALDLAD-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.74
Rot. Bonds4

About 3-methyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine

3-methyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine (PubChem CID 79744716) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-methyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
PubChem CID79744716
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name3-methyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
SMILESCCCn1ccnc1CC1(N)CCCC(C)C1
InChIInChI=1S/C14H25N3/c1-3-8-17-9-7-16-13(17)11-14(15)6-4-5-12(2)10-14/h7,9,12H,3-6,8,10-11,15H2,1-2H3
InChIKeyNWDWSHILALDLAD-UHFFFAOYSA-N
XLogP2.74
TPSA43.84 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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine
CID 79744545
2-tert-butyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744341
1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744670
(1-ethoxy-3-methylcyclohexyl)-(1-propylimidazol-2-yl)methanamine
CID 116768061
3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one
CID 63761629
3-methyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 62955948
[1-[(1-ethylimidazol-2-yl)methylamino]-3-methylcyclohexyl]methanol
CID 62552492
3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one
CID 62928639
2-methyl-2-[(1-propylimidazol-2-yl)methyl]azepane
CID 79761287
1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 79744907
1-[1-hydroxy-2-(1-propylimidazol-2-yl)ethyl]-4-methylcyclohexan-1-ol
CID 103452429
4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine
CID 79743997

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine (CID 79744716) is 3-methyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine is CCCn1ccnc1CC1(N)CCCC(C)C1.
What is the InChIKey of 3-methyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is NWDWSHILALDLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-8-17-9-7-16-13(17)11-14(15)6-4-5-12(2)10-14/h7,9,12H,3-6,8,10-11,15H2,1-2H3.
What are the key properties of 3-methyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine?
3-methyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 79744716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).