N-(cyclopropylmethyl)-N,3-dimethylimidazol-3-ium-1-carboxamide iodide

C10H16IN3O — CID 60985017

IUPACN-(cyclopropylmethyl)-N,3-dimethylimidazol-3-ium-1-carboxamide iodide
SMILESCN(CC1CC1)C(=O)n1cc[n+](C)c1.[I-]
InChIInChI=1S/C10H16N3O.HI/c1-11-5-6-13(8-11)10(14)12(2)7-9-3-4-9;/h5-6,8-9H,3-4,7H2,1-2H3;1H/q+1;/p-1
InChIKeyKYWRXIMNEQZWIQ-UHFFFAOYSA-M
MW321.16 g/mol
LogP-2.37
Rot. Bonds2

About N-(cyclopropylmethyl)-N,3-dimethylimidazol-3-ium-1-carboxamide iodide

N-(cyclopropylmethyl)-N,3-dimethylimidazol-3-ium-1-carboxamide iodide (PubChem CID 60985017) has the molecular formula C10H16IN3O and a molecular weight of 321.16 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N,3-dimethylimidazol-3-ium-1-carboxamide iodide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N,3-dimethylimidazol-3-ium-1-carboxamide iodide
PubChem CID60985017
Molecular FormulaC10H16IN3O
Molecular Weight321.16 g/mol
Exact Mass321.03
IUPAC NameN-(cyclopropylmethyl)-N,3-dimethylimidazol-3-ium-1-carboxamide iodide
SMILESCN(CC1CC1)C(=O)n1cc[n+](C)c1.[I-]
InChIInChI=1S/C10H16N3O.HI/c1-11-5-6-13(8-11)10(14)12(2)7-9-3-4-9;/h5-6,8-9H,3-4,7H2,1-2H3;1H/q+1;/p-1
InChIKeyKYWRXIMNEQZWIQ-UHFFFAOYSA-M
XLogP-2.37
TPSA29.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 5-2.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohexylmethyl)-N,3-dimethylimidazol-3-ium-1-carboxamide
CID 54948829
N-(cyclobutylmethyl)-N-ethyl-3-methylimidazol-3-ium-1-carboxamide iodide
CID 107400301
N-butan-2-yl-N-ethyl-3-methylimidazol-3-ium-1-carboxamide
CID 43274818
(3-methylimidazol-3-ium-1-yl)-(4-propylpiperidin-1-yl)methanone
CID 62206116
(3-methylimidazol-3-ium-1-yl)-(2-methylpiperidin-1-yl)methanone iodide
CID 43145415
[4-(2-hydroxyethyl)cyclohexyl]methyl-methylcarbamic acid
CID 22310808
N-(cyclobutylmethyl)-N-methylpyrrolidine-1-carboxamide
CID 115621970
2-bromo-N-(cyclopropylmethyl)-N-methylpropanamide
CID 107904481
cycloheptylmethyl(methyl)carbamic acid
CID 146255648
(2R)-2-amino-N-(cyclopropylmethyl)-N,3-dimethylbutanamide
CID 79013234
(3S,4S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114085926
1-[4-[cyclopropylmethyl(methyl)amino]phenyl]ethanone
CID 60967715

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N,3-dimethylimidazol-3-ium-1-carboxamide iodide?
The IUPAC name of N-(cyclopropylmethyl)-N,3-dimethylimidazol-3-ium-1-carboxamide iodide (CID 60985017) is N-(cyclopropylmethyl)-N,3-dimethylimidazol-3-ium-1-carboxamide iodide.
What is the SMILES notation for N-(cyclopropylmethyl)-N,3-dimethylimidazol-3-ium-1-carboxamide iodide?
The canonical SMILES for N-(cyclopropylmethyl)-N,3-dimethylimidazol-3-ium-1-carboxamide iodide is CN(CC1CC1)C(=O)n1cc[n+](C)c1.[I-].
What is the InChIKey of N-(cyclopropylmethyl)-N,3-dimethylimidazol-3-ium-1-carboxamide iodide?
The InChIKey is KYWRXIMNEQZWIQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16N3O.HI/c1-11-5-6-13(8-11)10(14)12(2)7-9-3-4-9;/h5-6,8-9H,3-4,7H2,1-2H3;1H/q+1;/p-1.
What are the key properties of N-(cyclopropylmethyl)-N,3-dimethylimidazol-3-ium-1-carboxamide iodide?
N-(cyclopropylmethyl)-N,3-dimethylimidazol-3-ium-1-carboxamide iodide has a molecular weight of 321.16 g/mol, XLogP of -2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N,3-dimethylimidazol-3-ium-1-carboxamide iodide is sourced from PubChem (CID 60985017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).