N-ethyl-N-methyl-4-methylidene-5,6-dihydroquinazolin-1-amine

C12H17N3 — CID 123943305

IUPACN-ethyl-N-methyl-4-methylidene-5,6-dihydroquinazolin-1-amine
SMILESC=C1N=CN(N(C)CC)C2=C1CCC=C2
InChIInChI=1S/C12H17N3/c1-4-14(3)15-9-13-10(2)11-7-5-6-8-12(11)15/h6,8-9H,2,4-5,7H2,1,3H3
InChIKeyHPTJRGCCFWPXBP-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.31
Rot. Bonds2

About N-ethyl-N-methyl-4-methylidene-5,6-dihydroquinazolin-1-amine

N-ethyl-N-methyl-4-methylidene-5,6-dihydroquinazolin-1-amine (PubChem CID 123943305) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-ethyl-N-methyl-4-methylidene-5,6-dihydroquinazolin-1-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-4-methylidene-5,6-dihydroquinazolin-1-amine
PubChem CID123943305
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-ethyl-N-methyl-4-methylidene-5,6-dihydroquinazolin-1-amine
SMILESC=C1N=CN(N(C)CC)C2=C1CCC=C2
InChIInChI=1S/C12H17N3/c1-4-14(3)15-9-13-10(2)11-7-5-6-8-12(11)15/h6,8-9H,2,4-5,7H2,1,3H3
InChIKeyHPTJRGCCFWPXBP-UHFFFAOYSA-N
XLogP2.31
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5H-quinazolin-1-amine
CID 70661977
1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium-5-ide
CID 88884589
1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium-5-ide;ethane
CID 91231787
1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium
CID 88884590
1,3-dimethyl-5H-quinazolin-3-ium
CID 136076142
1,3,4-trimethyl-5H-quinazolin-1-ium
CID 136139039

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-4-methylidene-5,6-dihydroquinazolin-1-amine?
The IUPAC name of N-ethyl-N-methyl-4-methylidene-5,6-dihydroquinazolin-1-amine (CID 123943305) is N-ethyl-N-methyl-4-methylidene-5,6-dihydroquinazolin-1-amine.
What is the SMILES notation for N-ethyl-N-methyl-4-methylidene-5,6-dihydroquinazolin-1-amine?
The canonical SMILES for N-ethyl-N-methyl-4-methylidene-5,6-dihydroquinazolin-1-amine is C=C1N=CN(N(C)CC)C2=C1CCC=C2.
What is the InChIKey of N-ethyl-N-methyl-4-methylidene-5,6-dihydroquinazolin-1-amine?
The InChIKey is HPTJRGCCFWPXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-4-14(3)15-9-13-10(2)11-7-5-6-8-12(11)15/h6,8-9H,2,4-5,7H2,1,3H3.
What are the key properties of N-ethyl-N-methyl-4-methylidene-5,6-dihydroquinazolin-1-amine?
N-ethyl-N-methyl-4-methylidene-5,6-dihydroquinazolin-1-amine has a molecular weight of 203.29 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-4-methylidene-5,6-dihydroquinazolin-1-amine is sourced from PubChem (CID 123943305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).