6-iodo-N-[2-(2-methylimidazol-1-yl)ethyl]hexan-1-amine

C12H22IN3 — CID 107844722

IUPAC6-iodo-N-[2-(2-methylimidazol-1-yl)ethyl]hexan-1-amine
SMILESCc1nccn1CCNCCCCCCI
InChIInChI=1S/C12H22IN3/c1-12-15-9-11-16(12)10-8-14-7-5-3-2-4-6-13/h9,11,14H,2-8,10H2,1H3
InChIKeyRBRCZBGGDUHQGJ-UHFFFAOYSA-N
MW335.23 g/mol
LogP2.78
Rot. Bonds9

About 6-iodo-N-[2-(2-methylimidazol-1-yl)ethyl]hexan-1-amine

6-iodo-N-[2-(2-methylimidazol-1-yl)ethyl]hexan-1-amine (PubChem CID 107844722) has the molecular formula C12H22IN3 and a molecular weight of 335.23 g/mol. Its IUPAC name is 6-iodo-N-[2-(2-methylimidazol-1-yl)ethyl]hexan-1-amine.

Molecular Properties

Compound Name6-iodo-N-[2-(2-methylimidazol-1-yl)ethyl]hexan-1-amine
PubChem CID107844722
Molecular FormulaC12H22IN3
Molecular Weight335.23 g/mol
Exact Mass335.09
IUPAC Name6-iodo-N-[2-(2-methylimidazol-1-yl)ethyl]hexan-1-amine
SMILESCc1nccn1CCNCCCCCCI
InChIInChI=1S/C12H22IN3/c1-12-15-9-11-16(12)10-8-14-7-5-3-2-4-6-13/h9,11,14H,2-8,10H2,1H3
InChIKeyRBRCZBGGDUHQGJ-UHFFFAOYSA-N
XLogP2.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 52.78
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 107319925
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
2-(2-methylimidazol-1-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 106417768
3-(2-methylimidazol-1-yl)propylhydrazine
CID 123546273
2-methoxy-2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 104760515

Frequently Asked Questions

What is the IUPAC name of 6-iodo-N-[2-(2-methylimidazol-1-yl)ethyl]hexan-1-amine?
The IUPAC name of 6-iodo-N-[2-(2-methylimidazol-1-yl)ethyl]hexan-1-amine (CID 107844722) is 6-iodo-N-[2-(2-methylimidazol-1-yl)ethyl]hexan-1-amine.
What is the SMILES notation for 6-iodo-N-[2-(2-methylimidazol-1-yl)ethyl]hexan-1-amine?
The canonical SMILES for 6-iodo-N-[2-(2-methylimidazol-1-yl)ethyl]hexan-1-amine is Cc1nccn1CCNCCCCCCI.
What is the InChIKey of 6-iodo-N-[2-(2-methylimidazol-1-yl)ethyl]hexan-1-amine?
The InChIKey is RBRCZBGGDUHQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22IN3/c1-12-15-9-11-16(12)10-8-14-7-5-3-2-4-6-13/h9,11,14H,2-8,10H2,1H3.
What are the key properties of 6-iodo-N-[2-(2-methylimidazol-1-yl)ethyl]hexan-1-amine?
6-iodo-N-[2-(2-methylimidazol-1-yl)ethyl]hexan-1-amine has a molecular weight of 335.23 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-N-[2-(2-methylimidazol-1-yl)ethyl]hexan-1-amine is sourced from PubChem (CID 107844722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).