3-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine

C13H23N3 — CID 64501340

IUPAC3-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
SMILESCCC1CCC(NCCc2nccn2C)C1
InChIInChI=1S/C13H23N3/c1-3-11-4-5-12(10-11)14-7-6-13-15-8-9-16(13)2/h8-9,11-12,14H,3-7,10H2,1-2H3
InChIKeyHYTJVFNUNBREOF-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.13
Rot. Bonds5

About 3-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine

3-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine (PubChem CID 64501340) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
PubChem CID64501340
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
SMILESCCC1CCC(NCCc2nccn2C)C1
InChIInChI=1S/C13H23N3/c1-3-11-4-5-12(10-11)14-7-6-13-15-8-9-16(13)2/h8-9,11-12,14H,3-7,10H2,1-2H3
InChIKeyHYTJVFNUNBREOF-UHFFFAOYSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 61214727
3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine
CID 114531771
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
1,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine
CID 81344994
4-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 61470208
N-[[4-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 114533031
N-[3-methyl-5-(1-methylimidazol-2-yl)pentyl]cyclopropanamine
CID 114532982
N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 61210136
1-(4-ethylcyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530310
N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 61211277
N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxothian-3-amine
CID 63923427
N-[2-(1-methylimidazol-2-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 61215283

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine?
The IUPAC name of 3-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine (CID 64501340) is 3-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 3-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 3-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine is CCC1CCC(NCCc2nccn2C)C1.
What is the InChIKey of 3-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine?
The InChIKey is HYTJVFNUNBREOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-11-4-5-12(10-11)14-7-6-13-15-8-9-16(13)2/h8-9,11-12,14H,3-7,10H2,1-2H3.
What are the key properties of 3-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine?
3-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 64501340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).