5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine

C11H20ClN3 — CID 107319925

IUPAC5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
SMILESCc1nccn1CCNCCCCCCl
InChIInChI=1S/C11H20ClN3/c1-11-14-8-10-15(11)9-7-13-6-4-2-3-5-12/h8,10,13H,2-7,9H2,1H3
InChIKeyXWHUQPGKMCRKEM-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.19
Rot. Bonds8

About 5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine

5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine (PubChem CID 107319925) has the molecular formula C11H20ClN3 and a molecular weight of 229.75 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound Name5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
PubChem CID107319925
Molecular FormulaC11H20ClN3
Molecular Weight229.75 g/mol
Exact Mass229.13
IUPAC Name5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
SMILESCc1nccn1CCNCCCCCCl
InChIInChI=1S/C11H20ClN3/c1-11-14-8-10-15(11)9-7-13-6-4-2-3-5-12/h8,10,13H,2-7,9H2,1H3
InChIKeyXWHUQPGKMCRKEM-UHFFFAOYSA-N
XLogP2.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-iodo-N-[2-(2-methylimidazol-1-yl)ethyl]hexan-1-amine
CID 107844722
5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
CID 107317411
N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 61492853
N-[2-(2-methylimidazol-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine
CID 114136882
2-methyl-5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
CID 106160254
2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 61493565
ethane;N'-[3-(2-methylimidazol-1-yl)propyl]methanediamine
CID 155737124
3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-ylbutan-1-amine
CID 102905476
2-(2-methylimidazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106429372
4-(2-chloroethyl)-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 65025844
3-(2-methylimidazol-1-yl)propylhydrazine
CID 123546273
2-chloro-3-methoxy-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 65023643

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine?
The IUPAC name of 5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine (CID 107319925) is 5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine.
What is the SMILES notation for 5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine?
The canonical SMILES for 5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine is Cc1nccn1CCNCCCCCCl.
What is the InChIKey of 5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine?
The InChIKey is XWHUQPGKMCRKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3/c1-11-14-8-10-15(11)9-7-13-6-4-2-3-5-12/h8,10,13H,2-7,9H2,1H3.
What are the key properties of 5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine?
5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine has a molecular weight of 229.75 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 107319925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).