ethane;N,N,2-trimethyl-8,8a-dihydroquinazolin-4-amine

C13H21N3 — CID 142228891

IUPACethane;N,N,2-trimethyl-8,8a-dihydroquinazolin-4-amine
SMILESCC.CC1=NC2CC=CC=C2C(N(C)C)=N1
InChIInChI=1S/C11H15N3.C2H6/c1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3;1-2/h4-6,10H,7H2,1-3H3;1-2H3
InChIKeyYZOIIQSNQXJCPD-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.66
Rot. Bonds

About ethane;N,N,2-trimethyl-8,8a-dihydroquinazolin-4-amine

ethane;N,N,2-trimethyl-8,8a-dihydroquinazolin-4-amine (PubChem CID 142228891) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is ethane;N,N,2-trimethyl-8,8a-dihydroquinazolin-4-amine.

Molecular Properties

Compound Nameethane;N,N,2-trimethyl-8,8a-dihydroquinazolin-4-amine
PubChem CID142228891
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Nameethane;N,N,2-trimethyl-8,8a-dihydroquinazolin-4-amine
SMILESCC.CC1=NC2CC=CC=C2C(N(C)C)=N1
InChIInChI=1S/C11H15N3.C2H6/c1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3;1-2/h4-6,10H,7H2,1-3H3;1-2H3
InChIKeyYZOIIQSNQXJCPD-UHFFFAOYSA-N
XLogP2.66
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(diethylamino)phenyl]-N,N-dimethyl-8,8a-dihydroquinazolin-4-amine
CID 144770433
4a,8-dihydro-4H-cyclohepta[b][1]benzofuran;ethane
CID 142425193
3-methyl-7,7a-dihydro-1H-indene
CID 90996575
7-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohepta-1,4,6-trien-1-amine
CID 155032373
9,10-dimethyl-1,8a,9,9a-tetrahydroanthracene
CID 145156109
2-(6-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-ol
CID 123397571
3-methyl-1,7-dihydrocyclohepta[c]pyrrole
CID 143453289
2-(3,4-dimethylphenyl)-8,8a-dihydroquinoline
CID 134550731
3-methyl-5-(6-methylcyclohexa-1,3-dien-1-yl)pyridine
CID 143707425
ethane;2-methyl-3-methylsulfanylcyclohepta-1,3,5-triene
CID 143029310
ethane;ethene;3-methylcyclohepta-1,3,5-triene
CID 144635732
9,10-dimethyl-1,2,8,8a-tetrahydroanthracene
CID 145498367

Frequently Asked Questions

What is the IUPAC name of ethane;N,N,2-trimethyl-8,8a-dihydroquinazolin-4-amine?
The IUPAC name of ethane;N,N,2-trimethyl-8,8a-dihydroquinazolin-4-amine (CID 142228891) is ethane;N,N,2-trimethyl-8,8a-dihydroquinazolin-4-amine.
What is the SMILES notation for ethane;N,N,2-trimethyl-8,8a-dihydroquinazolin-4-amine?
The canonical SMILES for ethane;N,N,2-trimethyl-8,8a-dihydroquinazolin-4-amine is CC.CC1=NC2CC=CC=C2C(N(C)C)=N1.
What is the InChIKey of ethane;N,N,2-trimethyl-8,8a-dihydroquinazolin-4-amine?
The InChIKey is YZOIIQSNQXJCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3.C2H6/c1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3;1-2/h4-6,10H,7H2,1-3H3;1-2H3.
What are the key properties of ethane;N,N,2-trimethyl-8,8a-dihydroquinazolin-4-amine?
ethane;N,N,2-trimethyl-8,8a-dihydroquinazolin-4-amine has a molecular weight of 219.33 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N,2-trimethyl-8,8a-dihydroquinazolin-4-amine is sourced from PubChem (CID 142228891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).