N-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine

C16H29N3 — CID 81026464

IUPACN-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1Cc1nccn1CC
InChIInChI=1S/C16H29N3/c1-3-17-13-15-9-7-5-6-8-14(15)12-16-18-10-11-19(16)4-2/h10-11,14-15,17H,3-9,12-13H2,1-2H3
InChIKeyLDFMWKFJVAOWFW-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.25
Rot. Bonds6

About N-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine

N-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine (PubChem CID 81026464) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine
PubChem CID81026464
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1Cc1nccn1CC
InChIInChI=1S/C16H29N3/c1-3-17-13-15-9-7-5-6-8-14(15)12-16-18-10-11-19(16)4-2/h10-11,14-15,17H,3-9,12-13H2,1-2H3
InChIKeyLDFMWKFJVAOWFW-UHFFFAOYSA-N
XLogP3.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[2-[(1-propylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81025079
N-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033575
2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 81014583
N-[[2-(1,3-thiazol-2-ylmethyl)cycloheptyl]methyl]ethanamine
CID 81026356
2-methyl-N-[[2-[(1-methylimidazol-2-yl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81025135
3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79762047
N-[[2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031527
2-methyl-N-[[2-[(1-propylimidazol-2-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81022292
2-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79760679
2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064443
1-[4-tert-butyl-2-[(1-ethylimidazol-2-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 81025168
3-[(1-ethylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 79762054

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine (CID 81026464) is N-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine is CCNCC1CCCCCC1Cc1nccn1CC.
What is the InChIKey of N-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine?
The InChIKey is LDFMWKFJVAOWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-17-13-15-9-7-5-6-8-14(15)12-16-18-10-11-19(16)4-2/h10-11,14-15,17H,3-9,12-13H2,1-2H3.
What are the key properties of N-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine?
N-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine has a molecular weight of 263.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine is sourced from PubChem (CID 81026464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).