2-cycloheptyl-1-(1-ethylimidazol-2-yl)-N-methylethanamine

C15H27N3 — CID 115860135

IUPAC2-cycloheptyl-1-(1-ethylimidazol-2-yl)-N-methylethanamine
SMILESCCn1ccnc1C(CC1CCCCCC1)NC
InChIInChI=1S/C15H27N3/c1-3-18-11-10-17-15(18)14(16-2)12-13-8-6-4-5-7-9-13/h10-11,13-14,16H,3-9,12H2,1-2H3
InChIKeyNNTJZTMMIJMLME-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.52
Rot. Bonds5

About 2-cycloheptyl-1-(1-ethylimidazol-2-yl)-N-methylethanamine

2-cycloheptyl-1-(1-ethylimidazol-2-yl)-N-methylethanamine (PubChem CID 115860135) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-cycloheptyl-1-(1-ethylimidazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-cycloheptyl-1-(1-ethylimidazol-2-yl)-N-methylethanamine
PubChem CID115860135
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-cycloheptyl-1-(1-ethylimidazol-2-yl)-N-methylethanamine
SMILESCCn1ccnc1C(CC1CCCCCC1)NC
InChIInChI=1S/C15H27N3/c1-3-18-11-10-17-15(18)14(16-2)12-13-8-6-4-5-7-9-13/h10-11,13-14,16H,3-9,12H2,1-2H3
InChIKeyNNTJZTMMIJMLME-UHFFFAOYSA-N
XLogP3.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-cyclohexyl-1-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105258081
1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 80603549
2-cyclopentyl-1-(1-propylimidazol-2-yl)ethanamine
CID 115858989
1-(1-ethylimidazol-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 65423382
1-(3-ethylcyclopentyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 65410037
N',N'-diethyl-1-(1-ethylimidazol-2-yl)-N-methylpropane-1,3-diamine
CID 79087528
[1-cycloheptyl-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105232129
2-cyclohexyl-1-(3-ethyltriazol-4-yl)-N-methylethanamine
CID 114213525
3-cyclopropyl-1-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine
CID 105009408
[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105308403
3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79762047
1-(1-ethylimidazol-2-yl)-N,3,5,5-tetramethylhexan-1-amine
CID 115860234

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(1-ethylimidazol-2-yl)-N-methylethanamine?
The IUPAC name of 2-cycloheptyl-1-(1-ethylimidazol-2-yl)-N-methylethanamine (CID 115860135) is 2-cycloheptyl-1-(1-ethylimidazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-cycloheptyl-1-(1-ethylimidazol-2-yl)-N-methylethanamine?
The canonical SMILES for 2-cycloheptyl-1-(1-ethylimidazol-2-yl)-N-methylethanamine is CCn1ccnc1C(CC1CCCCCC1)NC.
What is the InChIKey of 2-cycloheptyl-1-(1-ethylimidazol-2-yl)-N-methylethanamine?
The InChIKey is NNTJZTMMIJMLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-18-11-10-17-15(18)14(16-2)12-13-8-6-4-5-7-9-13/h10-11,13-14,16H,3-9,12H2,1-2H3.
What are the key properties of 2-cycloheptyl-1-(1-ethylimidazol-2-yl)-N-methylethanamine?
2-cycloheptyl-1-(1-ethylimidazol-2-yl)-N-methylethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(1-ethylimidazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 115860135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).