N-methyl-1-[2-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]furan-3-yl]methanamine

C17H29N3O — CID 79917859

IUPACN-methyl-1-[2-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]furan-3-yl]methanamine
SMILESCNCc1cc(CN2CC3CCCCN3CC2C)oc1C
InChIInChI=1S/C17H29N3O/c1-13-10-19-7-5-4-6-16(19)11-20(13)12-17-8-15(9-18-3)14(2)21-17/h8,13,16,18H,4-7,9-12H2,1-3H3
InChIKeyIIQXMYJQBPRPJK-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.37
Rot. Bonds4

About N-methyl-1-[2-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]furan-3-yl]methanamine

N-methyl-1-[2-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]furan-3-yl]methanamine (PubChem CID 79917859) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]furan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]furan-3-yl]methanamine
PubChem CID79917859
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-methyl-1-[2-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]furan-3-yl]methanamine
SMILESCNCc1cc(CN2CC3CCCCN3CC2C)oc1C
InChIInChI=1S/C17H29N3O/c1-13-10-19-7-5-4-6-16(19)11-20(13)12-17-8-15(9-18-3)14(2)21-17/h8,13,16,18H,4-7,9-12H2,1-3H3
InChIKeyIIQXMYJQBPRPJK-UHFFFAOYSA-N
XLogP2.37
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[2-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]furan-3-yl]methanamine with MolForge

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Related Compounds

N-methyl-1-[2-methyl-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]furan-3-yl]methanamine
CID 79945685
3-methyl-2-[(5-methylfuran-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926014
1-[5-[(2-ethylazepan-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 104692338
N-methyl-1-[4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]methanamine
CID 79945683
1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-methylfuran-2-yl]-N-methylmethanamine
CID 79946048
N-methyl-1-[6-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]methanamine
CID 106906872
N-methyl-1-[2-methyl-5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine
CID 63167944
1-[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 79183372
1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2-methylfuran-3-yl]-N-methylmethanamine
CID 115562245
(3S,8aR)-2-[(5-bromofuran-2-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 95792117
1-[5-[(4-tert-butylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62411604
[5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 79945970

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]furan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]furan-3-yl]methanamine (CID 79917859) is N-methyl-1-[2-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]furan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]furan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]furan-3-yl]methanamine is CNCc1cc(CN2CC3CCCCN3CC2C)oc1C.
What is the InChIKey of N-methyl-1-[2-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]furan-3-yl]methanamine?
The InChIKey is IIQXMYJQBPRPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13-10-19-7-5-4-6-16(19)11-20(13)12-17-8-15(9-18-3)14(2)21-17/h8,13,16,18H,4-7,9-12H2,1-3H3.
What are the key properties of N-methyl-1-[2-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]furan-3-yl]methanamine?
N-methyl-1-[2-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]furan-3-yl]methanamine has a molecular weight of 291.44 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]furan-3-yl]methanamine is sourced from PubChem (CID 79917859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).