(1-propanimidoylimidazol-2-yl)methanamine

C7H12N4 — CID 174393616

IUPAC(1-propanimidoylimidazol-2-yl)methanamine
SMILES[H]/N=C(\CC)n1ccnc1CN
InChIInChI=1S/C7H12N4/c1-2-6(9)11-4-3-10-7(11)5-8/h3-4,9H,2,5,8H2,1H3/b9-6+
InChIKeyKMIDGBYXXJTCBC-RMKNXTFCSA-N
MW152.20 g/mol
LogP0.58
Rot. Bonds2

About (1-propanimidoylimidazol-2-yl)methanamine

(1-propanimidoylimidazol-2-yl)methanamine (PubChem CID 174393616) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is (1-propanimidoylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(1-propanimidoylimidazol-2-yl)methanamine
PubChem CID174393616
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name(1-propanimidoylimidazol-2-yl)methanamine
SMILES[H]/N=C(\CC)n1ccnc1CN
InChIInChI=1S/C7H12N4/c1-2-6(9)11-4-3-10-7(11)5-8/h3-4,9H,2,5,8H2,1H3/b9-6+
InChIKeyKMIDGBYXXJTCBC-RMKNXTFCSA-N
XLogP0.58
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (1-propanimidoylimidazol-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-tert-butylimidazol-2-yl)methanamine
CID 55268001
1-(2-ethylimidazol-1-yl)propan-1-one
CID 110459273
5-(2-ethylimidazol-1-yl)pyridine-2-carboximidamide
CID 115489732
4-(2-ethylimidazol-1-yl)-3,5-difluorobenzenecarboximidamide
CID 81293852
[1-(trifluoromethyl)imidazol-2-yl]methanamine;hydrochloride
CID 155970532
4-amino-1-(2-ethylimidazol-1-yl)butan-1-one
CID 110460746
2-[2-(aminomethyl)imidazol-1-yl]butanamide
CID 62900446
5,6-diethyl-3-(2-ethylimidazol-1-yl)pyridazine-4-carboximidamide
CID 80513406
(2-ethylimidazol-1-yl)methanamine
CID 122501271
3-chloro-4-(2-ethylimidazol-1-yl)benzenecarboximidamide
CID 63089231
[1-(3-chloro-2-methylphenyl)imidazol-2-yl]methanamine
CID 82286820
[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 61404931

Frequently Asked Questions

What is the IUPAC name of (1-propanimidoylimidazol-2-yl)methanamine?
The IUPAC name of (1-propanimidoylimidazol-2-yl)methanamine (CID 174393616) is (1-propanimidoylimidazol-2-yl)methanamine.
What is the SMILES notation for (1-propanimidoylimidazol-2-yl)methanamine?
The canonical SMILES for (1-propanimidoylimidazol-2-yl)methanamine is [H]/N=C(\CC)n1ccnc1CN.
What is the InChIKey of (1-propanimidoylimidazol-2-yl)methanamine?
The InChIKey is KMIDGBYXXJTCBC-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H12N4/c1-2-6(9)11-4-3-10-7(11)5-8/h3-4,9H,2,5,8H2,1H3/b9-6+.
What are the key properties of (1-propanimidoylimidazol-2-yl)methanamine?
(1-propanimidoylimidazol-2-yl)methanamine has a molecular weight of 152.20 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propanimidoylimidazol-2-yl)methanamine is sourced from PubChem (CID 174393616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).