3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine

C14H25N3 — CID 79762047

IUPAC3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine
SMILESCCn1ccnc1CC1CCCCC(NC)C1
InChIInChI=1S/C14H25N3/c1-3-17-9-8-16-14(17)11-12-6-4-5-7-13(10-12)15-2/h8-9,12-13,15H,3-7,10-11H2,1-2H3
InChIKeyLERPUCPYXARVLB-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.61
Rot. Bonds4

About 3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine

3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine (PubChem CID 79762047) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine
PubChem CID79762047
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine
SMILESCCn1ccnc1CC1CCCCC(NC)C1
InChIInChI=1S/C14H25N3/c1-3-17-9-8-16-14(17)11-12-6-4-5-7-13(10-12)15-2/h8-9,12-13,15H,3-7,10-11H2,1-2H3
InChIKeyLERPUCPYXARVLB-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033575
1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62736422
1-ethyl-N-(3-ethylcyclohexyl)imidazol-2-amine
CID 64742243
N-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81026464
2-[(3-chlorocyclopentyl)methyl]-1-propylimidazole
CID 79761339
2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064443
2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 81014583
N-cyclopentyloxy-1-(1-ethylimidazol-2-yl)methanamine
CID 83229115
[1-cycloheptyl-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105232129
N-[[2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031527
1-[4-tert-butyl-2-[(1-ethylimidazol-2-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 81025168
N-[(1-ethylimidazol-2-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471784

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine?
The IUPAC name of 3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine (CID 79762047) is 3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine.
What is the SMILES notation for 3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine?
The canonical SMILES for 3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine is CCn1ccnc1CC1CCCCC(NC)C1.
What is the InChIKey of 3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine?
The InChIKey is LERPUCPYXARVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-17-9-8-16-14(17)11-12-6-4-5-7-13(10-12)15-2/h8-9,12-13,15H,3-7,10-11H2,1-2H3.
What are the key properties of 3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine?
3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine is sourced from PubChem (CID 79762047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).