ethane;methane;2-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidine

C15H28N2 — CID 143644650

IUPACethane;methane;2-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidine
SMILESC.CC.CC.Cc1ncc2c(n1)CCCC=C2
InChIInChI=1S/C10H12N2.2C2H6.CH4/c1-8-11-7-9-5-3-2-4-6-10(9)12-8;2*1-2;/h3,5,7H,2,4,6H2,1H3;2*1-2H3;1H4
InChIKeyHBFHNVGSFHIUAQ-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.82
Rot. Bonds

About ethane;methane;2-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidine

ethane;methane;2-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidine (PubChem CID 143644650) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is ethane;methane;2-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidine.

Molecular Properties

Compound Nameethane;methane;2-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidine
PubChem CID143644650
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Nameethane;methane;2-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidine
SMILESC.CC.CC.Cc1ncc2c(n1)CCCC=C2
InChIInChI=1S/C10H12N2.2C2H6.CH4/c1-8-11-7-9-5-3-2-4-6-10(9)12-8;2*1-2;/h3,5,7H,2,4,6H2,1H3;2*1-2H3;1H4
InChIKeyHBFHNVGSFHIUAQ-UHFFFAOYSA-N
XLogP4.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-dimethyl-7,8-dihydroquinazoline
CID 144508558
5-imino-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide
CID 163551632
2,6-dimethyl-7H-cyclopenta[d]pyrimidine
CID 58449453
5,5-difluoro-2-methyl-6,7-dihydrocyclopenta[d]pyrimidine
CID 177336000
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008486
ethane;1,6,7,8-tetrahydrocyclohepta[b]pyrrole
CID 143140807
ethane;methane;3-methyl-6,7-dihydro-5H-imidazo[1,2-a]azepine
CID 142804526
2-methyl-5,6,7,8-tetrahydroquinazoline-5-carboxylic acid
CID 83861952
N-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidin-4-amine
CID 142535241
2-methyl-7,8-dihydro-5H-quinazolin-6-one
CID 55254528
4-cyclohex-2-en-1-yl-2,5-dimethylpyrimidine
CID 156842568
N-ethyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385247

Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidine?
The IUPAC name of ethane;methane;2-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidine (CID 143644650) is ethane;methane;2-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidine.
What is the SMILES notation for ethane;methane;2-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidine?
The canonical SMILES for ethane;methane;2-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidine is C.CC.CC.Cc1ncc2c(n1)CCCC=C2.
What is the InChIKey of ethane;methane;2-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidine?
The InChIKey is HBFHNVGSFHIUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.2C2H6.CH4/c1-8-11-7-9-5-3-2-4-6-10(9)12-8;2*1-2;/h3,5,7H,2,4,6H2,1H3;2*1-2H3;1H4.
What are the key properties of ethane;methane;2-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidine?
ethane;methane;2-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidine has a molecular weight of 236.40 g/mol, XLogP of 4.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidine is sourced from PubChem (CID 143644650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).