ethane;1-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine

C11H22N2 — CID 142067445

IUPACethane;1-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine
SMILESCC.CC1=NCCC2CCCCN12
InChIInChI=1S/C9H16N2.C2H6/c1-8-10-6-5-9-4-2-3-7-11(8)9;1-2/h9H,2-7H2,1H3;1-2H3
InChIKeyCJBDCARHXLCZJV-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.69
Rot. Bonds

About ethane;1-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine

ethane;1-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine (PubChem CID 142067445) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is ethane;1-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine.

Molecular Properties

Compound Nameethane;1-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine
PubChem CID142067445
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Nameethane;1-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine
SMILESCC.CC1=NCCC2CCCCN12
InChIInChI=1S/C9H16N2.C2H6/c1-8-10-6-5-9-4-2-3-7-11(8)9;1-2/h9H,2-7H2,1H3;1-2H3
InChIKeyCJBDCARHXLCZJV-UHFFFAOYSA-N
XLogP2.69
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine
CID 143809339
(7aS)-3-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole
CID 59794258
4-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
CID 22670654
N,N-dimethyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-6-amine
CID 150582155
1,2-dicyclohexyl-4,5-dihydroimidazole;hydrochloride
CID 173048442
4-methylidene-2,3,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepine
CID 123590457
1-azabicyclo[5.5.0]dodecan-2-one
CID 11063030
2-chloro-4,6-bis[(2S)-2-methylpiperidin-1-yl]-1,3,5-triazine
CID 11893825
6-chloro-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
CID 139950765
7-tert-butyl-2,3,4,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-6-one
CID 22972720
3-propan-2-yl-2,3,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-4-one
CID 22972607
(1,3-dicyclohexylimidazolidin-2-ylidene)rhodium
CID 142675127

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine?
The IUPAC name of ethane;1-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine (CID 142067445) is ethane;1-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine.
What is the SMILES notation for ethane;1-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine?
The canonical SMILES for ethane;1-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine is CC.CC1=NCCC2CCCCN12.
What is the InChIKey of ethane;1-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine?
The InChIKey is CJBDCARHXLCZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-8-10-6-5-9-4-2-3-7-11(8)9;1-2/h9H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine?
ethane;1-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine has a molecular weight of 182.31 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine is sourced from PubChem (CID 142067445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).