N,N-dimethylpyridin-4-amine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;methane;4-methylmorpholine;1-methylpyrrole;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine

C39H65N9O — CID 159201121

IUPACN,N-dimethylpyridin-4-amine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;methane;4-methylmorpholine;1-methylpyrrole;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine
SMILESC.C1CCC2=NCCCN2CC1.C1CN=C2CCCN2C1.CN(C)c1ccncc1.CN1CCOCC1.Cn1cccc1.c1ccncc1
InChIInChI=1S/C9H16N2.C7H12N2.C7H10N2.C5H11NO.C5H7N.C5H5N.CH4/c1-2-5-9-10-6-4-8-11(9)7-3-1;1-3-7-8-4-2-6-9(7)5-1;1-9(2)7-3-5-8-6-4-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-2-4-6-5-3-1;/h1-8H2;1-6H2;3-6H,1-2H3;2-5H2,1H3;2-5H,1H3;1-5H;1H4
InChIKeyKPHPCRCQSXJEEM-UHFFFAOYSA-N
MW676.01 g/mol
LogP6.39
Rot. Bonds1

About N,N-dimethylpyridin-4-amine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;methane;4-methylmorpholine;1-methylpyrrole;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine

N,N-dimethylpyridin-4-amine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;methane;4-methylmorpholine;1-methylpyrrole;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine (PubChem CID 159201121) has the molecular formula C39H65N9O and a molecular weight of 676.01 g/mol. Its IUPAC name is N,N-dimethylpyridin-4-amine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;methane;4-methylmorpholine;1-methylpyrrole;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine.

Molecular Properties

Compound NameN,N-dimethylpyridin-4-amine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;methane;4-methylmorpholine;1-methylpyrrole;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine
PubChem CID159201121
Molecular FormulaC39H65N9O
Molecular Weight676.01 g/mol
Exact Mass675.53
IUPAC NameN,N-dimethylpyridin-4-amine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;methane;4-methylmorpholine;1-methylpyrrole;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine
SMILESC.C1CCC2=NCCCN2CC1.C1CN=C2CCCN2C1.CN(C)c1ccncc1.CN1CCOCC1.Cn1cccc1.c1ccncc1
InChIInChI=1S/C9H16N2.C7H12N2.C7H10N2.C5H11NO.C5H7N.C5H5N.CH4/c1-2-5-9-10-6-4-8-11(9)7-3-1;1-3-7-8-4-2-6-9(7)5-1;1-9(2)7-3-5-8-6-4-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-2-4-6-5-3-1;/h1-8H2;1-6H2;3-6H,1-2H3;2-5H2,1H3;2-5H,1H3;1-5H;1H4
InChIKeyKPHPCRCQSXJEEM-UHFFFAOYSA-N
XLogP6.39
TPSA77.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.01
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N,N-dimethylpyridin-4-amine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;methane;4-methylmorpholine;1-methylpyrrole;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpyridin-4-amine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;methane;4-methylmorpholine;1-methylpyrrole;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine?
The IUPAC name of N,N-dimethylpyridin-4-amine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;methane;4-methylmorpholine;1-methylpyrrole;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine (CID 159201121) is N,N-dimethylpyridin-4-amine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;methane;4-methylmorpholine;1-methylpyrrole;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine.
What is the SMILES notation for N,N-dimethylpyridin-4-amine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;methane;4-methylmorpholine;1-methylpyrrole;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine?
The canonical SMILES for N,N-dimethylpyridin-4-amine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;methane;4-methylmorpholine;1-methylpyrrole;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine is C.C1CCC2=NCCCN2CC1.C1CN=C2CCCN2C1.CN(C)c1ccncc1.CN1CCOCC1.Cn1cccc1.c1ccncc1.
What is the InChIKey of N,N-dimethylpyridin-4-amine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;methane;4-methylmorpholine;1-methylpyrrole;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine?
The InChIKey is KPHPCRCQSXJEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.C7H12N2.C7H10N2.C5H11NO.C5H7N.C5H5N.CH4/c1-2-5-9-10-6-4-8-11(9)7-3-1;1-3-7-8-4-2-6-9(7)5-1;1-9(2)7-3-5-8-6-4-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-2-4-6-5-3-1;/h1-8H2;1-6H2;3-6H,1-2H3;2-5H2,1H3;2-5H,1H3;1-5H;1H4.
What are the key properties of N,N-dimethylpyridin-4-amine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;methane;4-methylmorpholine;1-methylpyrrole;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine?
N,N-dimethylpyridin-4-amine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;methane;4-methylmorpholine;1-methylpyrrole;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine has a molecular weight of 676.01 g/mol, XLogP of 6.39, 1 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpyridin-4-amine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine;methane;4-methylmorpholine;1-methylpyrrole;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine is sourced from PubChem (CID 159201121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).