1-(1-methylimidazol-2-yl)propan-1-amine;nitric acid

C7H14N4O3 — CID 172745142

IUPAC1-(1-methylimidazol-2-yl)propan-1-amine;nitric acid
SMILESCCC(N)c1nccn1C.O=[N+]([O-])O
InChIInChI=1S/C7H13N3.HNO3/c1-3-6(8)7-9-4-5-10(7)2;2-1(3)4/h4-6H,3,8H2,1-2H3;(H,2,3,4)
InChIKeyJPTXDWQZDBNNCG-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.48
Rot. Bonds2

About 1-(1-methylimidazol-2-yl)propan-1-amine;nitric acid

1-(1-methylimidazol-2-yl)propan-1-amine;nitric acid (PubChem CID 172745142) has the molecular formula C7H14N4O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)propan-1-amine;nitric acid.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)propan-1-amine;nitric acid
PubChem CID172745142
Molecular FormulaC7H14N4O3
Molecular Weight202.21 g/mol
Exact Mass202.11
IUPAC Name1-(1-methylimidazol-2-yl)propan-1-amine;nitric acid
SMILESCCC(N)c1nccn1C.O=[N+]([O-])O
InChIInChI=1S/C7H13N3.HNO3/c1-3-6(8)7-9-4-5-10(7)2;2-1(3)4/h4-6H,3,8H2,1-2H3;(H,2,3,4)
InChIKeyJPTXDWQZDBNNCG-UHFFFAOYSA-N
XLogP0.48
TPSA107.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-1-(1-methylimidazol-2-yl)propan-1-amine
CID 105149670
3-ethyl-1-(1-methylimidazol-2-yl)pentan-1-amine
CID 82922287
ethyl 2-amino-2-(1-methylimidazol-2-yl)acetate;hydrochloride
CID 44891077
methyl (3R)-3-amino-3-(1-methylimidazol-2-yl)propanoate
CID 165494326
1-(1-methylimidazol-2-yl)propane-1-thiol
CID 174522847
1-methyl-2-pentan-3-ylimidazole
CID 89261277
(2R)-2-amino-2-(1-methylimidazol-2-yl)acetic acid
CID 26597297
(1R)-1-(1-methylimidazol-2-yl)ethanamine
CID 42220137
4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-amine
CID 79952736
1-methyl-2-(1-nitroethyl)imidazole;thiocyanic acid
CID 175975512
1-(1-methylimidazol-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215332
(1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride
CID 162341662

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)propan-1-amine;nitric acid?
The IUPAC name of 1-(1-methylimidazol-2-yl)propan-1-amine;nitric acid (CID 172745142) is 1-(1-methylimidazol-2-yl)propan-1-amine;nitric acid.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)propan-1-amine;nitric acid?
The canonical SMILES for 1-(1-methylimidazol-2-yl)propan-1-amine;nitric acid is CCC(N)c1nccn1C.O=[N+]([O-])O.
What is the InChIKey of 1-(1-methylimidazol-2-yl)propan-1-amine;nitric acid?
The InChIKey is JPTXDWQZDBNNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.HNO3/c1-3-6(8)7-9-4-5-10(7)2;2-1(3)4/h4-6H,3,8H2,1-2H3;(H,2,3,4).
What are the key properties of 1-(1-methylimidazol-2-yl)propan-1-amine;nitric acid?
1-(1-methylimidazol-2-yl)propan-1-amine;nitric acid has a molecular weight of 202.21 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)propan-1-amine;nitric acid is sourced from PubChem (CID 172745142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).