ethane;2-methyl-1,4,5,6,7,8-hexahydroquinazoline

C13H26N2 — CID 91507278

IUPACethane;2-methyl-1,4,5,6,7,8-hexahydroquinazoline
SMILESCC.CC.CC1=NCC2=C(CCCC2)N1
InChIInChI=1S/C9H14N2.2C2H6/c1-7-10-6-8-4-2-3-5-9(8)11-7;2*1-2/h2-6H2,1H3,(H,10,11);2*1-2H3
InChIKeyPUVJUXWKTNMMHK-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.89
Rot. Bonds

About ethane;2-methyl-1,4,5,6,7,8-hexahydroquinazoline

ethane;2-methyl-1,4,5,6,7,8-hexahydroquinazoline (PubChem CID 91507278) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is ethane;2-methyl-1,4,5,6,7,8-hexahydroquinazoline.

Molecular Properties

Compound Nameethane;2-methyl-1,4,5,6,7,8-hexahydroquinazoline
PubChem CID91507278
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Nameethane;2-methyl-1,4,5,6,7,8-hexahydroquinazoline
SMILESCC.CC.CC1=NCC2=C(CCCC2)N1
InChIInChI=1S/C9H14N2.2C2H6/c1-7-10-6-8-4-2-3-5-9(8)11-7;2*1-2/h2-6H2,1H3,(H,10,11);2*1-2H3
InChIKeyPUVJUXWKTNMMHK-UHFFFAOYSA-N
XLogP3.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

quinazoline-4(1H)-thione, 5,6,7,8-tetrahydro-2-methyl-
CID 17324452
2-Methyl-1,4,5,6,7,8-hexahydroquinazoline
CID 18740813
1,2-dimethyl-5,6,7,8-tetrahydro-4H-quinazoline
CID 21341298
2,6,7-Trimethyl-1,4,5,6,7,8-hexahydroquinazoline
CID 53948556
3-methyl-2,5,6,7,8,9-hexahydro-1H-2,4-benzodiazepine
CID 89698265
4-Tert-butyl-2-methyl-1,4,5,6,7,8-hexahydroquinazoline
CID 117837504
2,4-Dimethyl-1,4,5,6,7,8-hexahydroquinazoline
CID 117839128
2,4-dimethyl-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine
CID 117839141
N-(1-cyclohexyl-2-methylprop-1-enyl)-N'-methylethanimidamide
CID 141842742
N-ethyl-3,4,5,6-tetrahydro-1H-quinolin-2-imine
CID 141844245
5-butyl-2,4-dimethyl-6-methylidene-1H-pyrimidine
CID 143681586
2,4-dimethyl-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine;ethane
CID 145622481

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1,4,5,6,7,8-hexahydroquinazoline?
The IUPAC name of ethane;2-methyl-1,4,5,6,7,8-hexahydroquinazoline (CID 91507278) is ethane;2-methyl-1,4,5,6,7,8-hexahydroquinazoline.
What is the SMILES notation for ethane;2-methyl-1,4,5,6,7,8-hexahydroquinazoline?
The canonical SMILES for ethane;2-methyl-1,4,5,6,7,8-hexahydroquinazoline is CC.CC.CC1=NCC2=C(CCCC2)N1.
What is the InChIKey of ethane;2-methyl-1,4,5,6,7,8-hexahydroquinazoline?
The InChIKey is PUVJUXWKTNMMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.2C2H6/c1-7-10-6-8-4-2-3-5-9(8)11-7;2*1-2/h2-6H2,1H3,(H,10,11);2*1-2H3.
What are the key properties of ethane;2-methyl-1,4,5,6,7,8-hexahydroquinazoline?
ethane;2-methyl-1,4,5,6,7,8-hexahydroquinazoline has a molecular weight of 210.36 g/mol, XLogP of 3.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1,4,5,6,7,8-hexahydroquinazoline is sourced from PubChem (CID 91507278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).