N-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine

C13H23N3 — CID 62567010

IUPACN-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine
SMILESCCc1nccn1CCNCC1CCCC1
InChIInChI=1S/C13H23N3/c1-2-13-15-8-10-16(13)9-7-14-11-12-5-3-4-6-12/h8,10,12,14H,2-7,9,11H2,1H3
InChIKeyCMQYBVMGDPRWEV-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.23
Rot. Bonds6

About N-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine

N-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine (PubChem CID 62567010) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine
PubChem CID62567010
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine
SMILESCCc1nccn1CCNCC1CCCC1
InChIInChI=1S/C13H23N3/c1-2-13-15-8-10-16(13)9-7-14-11-12-5-3-4-6-12/h8,10,12,14H,2-7,9,11H2,1H3
InChIKeyCMQYBVMGDPRWEV-UHFFFAOYSA-N
XLogP2.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohexylmethyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
CID 62562843
N-[[5-[(2-ethylimidazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62441582
N-[2-(2-ethylimidazol-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62565129
1-[2-(cyclopentylmethylamino)ethyl]-3-propylimidazol-2-one
CID 80582598
1-[2-(cyclohexylmethylamino)ethyl]-3-ethylimidazol-2-one
CID 80582631
1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309
1-[2-(cyclohexylmethylamino)ethyl]-3-propylimidazol-2-one
CID 80582596
2-[2-(2-ethylimidazol-1-yl)ethyl]-1-methylpiperidine
CID 107914179
N-[2-(2-ethylimidazol-1-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 91777093
N-(cyclopentylmethyl)-2-pyrazol-1-ylethanamine
CID 61463105
3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561520
1-(cyclopropylmethylamino)-3-(1-propylimidazol-2-yl)propan-2-one
CID 116557654

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine (CID 62567010) is N-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine is CCc1nccn1CCNCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine?
The InChIKey is CMQYBVMGDPRWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-2-13-15-8-10-16(13)9-7-14-11-12-5-3-4-6-12/h8,10,12,14H,2-7,9,11H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine?
N-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine has a molecular weight of 221.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine is sourced from PubChem (CID 62567010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).