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

C11H24N2 — CID 168977388

IUPACethane;2-methyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine
SMILESCC.CN1CCC2CCCCN2C1
InChIInChI=1S/C9H18N2.C2H6/c1-10-7-5-9-4-2-3-6-11(9)8-10;1-2/h9H,2-8H2,1H3;1-2H3
InChIKeyKIFUSHCMQBRGFT-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.16
Rot. Bonds

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

ethane;2-methyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine (PubChem CID 168977388) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is ethane;2-methyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine.

Molecular Properties

Compound Nameethane;2-methyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine
PubChem CID168977388
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Nameethane;2-methyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine
SMILESCC.CN1CCC2CCCCN2C1
InChIInChI=1S/C9H18N2.C2H6/c1-10-7-5-9-4-2-3-6-11(9)8-10;1-2/h9H,2-8H2,1H3;1-2H3
InChIKeyKIFUSHCMQBRGFT-UHFFFAOYSA-N
XLogP2.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine?
The IUPAC name of ethane;2-methyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine (CID 168977388) is ethane;2-methyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine.
What is the SMILES notation for ethane;2-methyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine?
The canonical SMILES for ethane;2-methyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine is CC.CN1CCC2CCCCN2C1.
What is the InChIKey of ethane;2-methyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine?
The InChIKey is KIFUSHCMQBRGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.C2H6/c1-10-7-5-9-4-2-3-6-11(9)8-10;1-2/h9H,2-8H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine?
ethane;2-methyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine has a molecular weight of 184.33 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine is sourced from PubChem (CID 168977388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).