N-methyl-1-(4-methyl-1,2,4a,5,6,7-hexahydroquinazolin-6-yl)methanimine

C11H17N3 — CID 163762822

IUPACN-methyl-1-(4-methyl-1,2,4a,5,6,7-hexahydroquinazolin-6-yl)methanimine
SMILESC/N=C/C1CC=C2NCN=C(C)C2C1
InChIInChI=1S/C11H17N3/c1-8-10-5-9(6-12-2)3-4-11(10)14-7-13-8/h4,6,9-10,14H,3,5,7H2,1-2H3/b12-6+
InChIKeyLZRBJJFCGBZTFQ-WUXMJOGZSA-N
MW191.28 g/mol
LogP1.62
Rot. Bonds1

About N-methyl-1-(4-methyl-1,2,4a,5,6,7-hexahydroquinazolin-6-yl)methanimine

N-methyl-1-(4-methyl-1,2,4a,5,6,7-hexahydroquinazolin-6-yl)methanimine (PubChem CID 163762822) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-1,2,4a,5,6,7-hexahydroquinazolin-6-yl)methanimine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-1,2,4a,5,6,7-hexahydroquinazolin-6-yl)methanimine
PubChem CID163762822
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-methyl-1-(4-methyl-1,2,4a,5,6,7-hexahydroquinazolin-6-yl)methanimine
SMILESC/N=C/C1CC=C2NCN=C(C)C2C1
InChIInChI=1S/C11H17N3/c1-8-10-5-9(6-12-2)3-4-11(10)14-7-13-8/h4,6,9-10,14H,3,5,7H2,1-2H3/b12-6+
InChIKeyLZRBJJFCGBZTFQ-WUXMJOGZSA-N
XLogP1.62
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-methyl-1-(4-methyl-1,2,4a,5,6,7-hexahydroquinazolin-6-yl)methanimine?
The IUPAC name of N-methyl-1-(4-methyl-1,2,4a,5,6,7-hexahydroquinazolin-6-yl)methanimine (CID 163762822) is N-methyl-1-(4-methyl-1,2,4a,5,6,7-hexahydroquinazolin-6-yl)methanimine.
What is the SMILES notation for N-methyl-1-(4-methyl-1,2,4a,5,6,7-hexahydroquinazolin-6-yl)methanimine?
The canonical SMILES for N-methyl-1-(4-methyl-1,2,4a,5,6,7-hexahydroquinazolin-6-yl)methanimine is C/N=C/C1CC=C2NCN=C(C)C2C1.
What is the InChIKey of N-methyl-1-(4-methyl-1,2,4a,5,6,7-hexahydroquinazolin-6-yl)methanimine?
The InChIKey is LZRBJJFCGBZTFQ-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H17N3/c1-8-10-5-9(6-12-2)3-4-11(10)14-7-13-8/h4,6,9-10,14H,3,5,7H2,1-2H3/b12-6+.
What are the key properties of N-methyl-1-(4-methyl-1,2,4a,5,6,7-hexahydroquinazolin-6-yl)methanimine?
N-methyl-1-(4-methyl-1,2,4a,5,6,7-hexahydroquinazolin-6-yl)methanimine has a molecular weight of 191.28 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-1,2,4a,5,6,7-hexahydroquinazolin-6-yl)methanimine is sourced from PubChem (CID 163762822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).