4-methyl-2-methylimino-1,3,5,6,7,8-hexahydroquinazolin-4-amine

C10H18N4 — CID 154455409

IUPAC4-methyl-2-methylimino-1,3,5,6,7,8-hexahydroquinazolin-4-amine
SMILESC/N=C1\NC2=C(CCCC2)C(C)(N)N1
InChIInChI=1S/C10H18N4/c1-10(11)7-5-3-4-6-8(7)13-9(12-2)14-10/h3-6,11H2,1-2H3,(H2,12,13,14)
InChIKeyORYYODHYHJDGST-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.67
Rot. Bonds

About 4-methyl-2-methylimino-1,3,5,6,7,8-hexahydroquinazolin-4-amine

4-methyl-2-methylimino-1,3,5,6,7,8-hexahydroquinazolin-4-amine (PubChem CID 154455409) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-methyl-2-methylimino-1,3,5,6,7,8-hexahydroquinazolin-4-amine.

Molecular Properties

Compound Name4-methyl-2-methylimino-1,3,5,6,7,8-hexahydroquinazolin-4-amine
PubChem CID154455409
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name4-methyl-2-methylimino-1,3,5,6,7,8-hexahydroquinazolin-4-amine
SMILESC/N=C1\NC2=C(CCCC2)C(C)(N)N1
InChIInChI=1S/C10H18N4/c1-10(11)7-5-3-4-6-8(7)13-9(12-2)14-10/h3-6,11H2,1-2H3,(H2,12,13,14)
InChIKeyORYYODHYHJDGST-UHFFFAOYSA-N
XLogP0.67
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylimino-1,3,5,6,7,8-hexahydroquinazolin-4-amine?
The IUPAC name of 4-methyl-2-methylimino-1,3,5,6,7,8-hexahydroquinazolin-4-amine (CID 154455409) is 4-methyl-2-methylimino-1,3,5,6,7,8-hexahydroquinazolin-4-amine.
What is the SMILES notation for 4-methyl-2-methylimino-1,3,5,6,7,8-hexahydroquinazolin-4-amine?
The canonical SMILES for 4-methyl-2-methylimino-1,3,5,6,7,8-hexahydroquinazolin-4-amine is C/N=C1\NC2=C(CCCC2)C(C)(N)N1.
What is the InChIKey of 4-methyl-2-methylimino-1,3,5,6,7,8-hexahydroquinazolin-4-amine?
The InChIKey is ORYYODHYHJDGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-10(11)7-5-3-4-6-8(7)13-9(12-2)14-10/h3-6,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-methyl-2-methylimino-1,3,5,6,7,8-hexahydroquinazolin-4-amine?
4-methyl-2-methylimino-1,3,5,6,7,8-hexahydroquinazolin-4-amine has a molecular weight of 194.28 g/mol, XLogP of 0.67, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylimino-1,3,5,6,7,8-hexahydroquinazolin-4-amine is sourced from PubChem (CID 154455409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).