N,N,2-trimethyl-6,8a-dihydroquinazolin-4-amine

C11H15N3 — CID 91462281

IUPACN,N,2-trimethyl-6,8a-dihydroquinazolin-4-amine
SMILESCC1=NC2C=CCC=C2C(N(C)C)=N1
InChIInChI=1S/C11H15N3/c1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h5-7,10H,4H2,1-3H3
InChIKeyCHPVBQQRIJIKSZ-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.63
Rot. Bonds

About N,N,2-trimethyl-6,8a-dihydroquinazolin-4-amine

N,N,2-trimethyl-6,8a-dihydroquinazolin-4-amine (PubChem CID 91462281) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is N,N,2-trimethyl-6,8a-dihydroquinazolin-4-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-6,8a-dihydroquinazolin-4-amine
PubChem CID91462281
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC NameN,N,2-trimethyl-6,8a-dihydroquinazolin-4-amine
SMILESCC1=NC2C=CCC=C2C(N(C)C)=N1
InChIInChI=1S/C11H15N3/c1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h5-7,10H,4H2,1-3H3
InChIKeyCHPVBQQRIJIKSZ-UHFFFAOYSA-N
XLogP1.63
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N,N,2,4-tetramethyl-2,3-dihydropyridin-6-amine
CID 67991657
(2S)-N,N,2,5-tetramethyl-2,3-dihydropyridin-6-amine
CID 67991658
ethane;N,N,2-trimethyl-8,8a-dihydroquinazolin-4-amine
CID 142228891
N,N,2-trimethyl-8,8a-dihydroquinazolin-4-amine
CID 142228892
4-N,4-N-dimethyl-8,8a-dihydroquinazoline-2,4-diamine
CID 142229046
(5E)-N,N,2,4-tetramethyl-5-[(2Z)-penta-2,4-dienylidene]-4H-pyrimidin-6-amine
CID 142229076
N,N,2-trimethyl-9,9a-dihydro-8H-cyclohepta[d]pyrimidin-4-amine
CID 142230302
N,N,2-trimethyl-9aH-cyclohepta[d]pyrimidin-4-amine
CID 142228482
(4aE,7Z)-N,N,2-trimethyl-6,9,10,10a-tetrahydrocycloocta[d]pyrimidin-4-amine
CID 142229919
(5E)-5-[(Z)-but-2-enylidene]-N,N,2,4-tetramethyl-4H-pyrimidin-6-amine
CID 142231501
N,N-dimethyl-6,7-dihydro-1,8-naphthyridin-2-amine
CID 177046902

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-6,8a-dihydroquinazolin-4-amine?
The IUPAC name of N,N,2-trimethyl-6,8a-dihydroquinazolin-4-amine (CID 91462281) is N,N,2-trimethyl-6,8a-dihydroquinazolin-4-amine.
What is the SMILES notation for N,N,2-trimethyl-6,8a-dihydroquinazolin-4-amine?
The canonical SMILES for N,N,2-trimethyl-6,8a-dihydroquinazolin-4-amine is CC1=NC2C=CCC=C2C(N(C)C)=N1.
What is the InChIKey of N,N,2-trimethyl-6,8a-dihydroquinazolin-4-amine?
The InChIKey is CHPVBQQRIJIKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h5-7,10H,4H2,1-3H3.
What are the key properties of N,N,2-trimethyl-6,8a-dihydroquinazolin-4-amine?
N,N,2-trimethyl-6,8a-dihydroquinazolin-4-amine has a molecular weight of 189.26 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-6,8a-dihydroquinazolin-4-amine is sourced from PubChem (CID 91462281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).