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

C18H29N3 — CID 81314851

IUPAC[2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]phenyl]methanamine
SMILESCC1CN2CCCCC2CN1CCc1ccccc1CN
InChIInChI=1S/C18H29N3/c1-15-13-21-10-5-4-8-18(21)14-20(15)11-9-16-6-2-3-7-17(16)12-19/h2-3,6-7,15,18H,4-5,8-14,19H2,1H3
InChIKeyBRZGUPYHBYDYSZ-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.25
Rot. Bonds4

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

[2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]phenyl]methanamine (PubChem CID 81314851) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is [2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]phenyl]methanamine
PubChem CID81314851
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name[2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]phenyl]methanamine
SMILESCC1CN2CCCCC2CN1CCc1ccccc1CN
InChIInChI=1S/C18H29N3/c1-15-13-21-10-5-4-8-18(21)14-20(15)11-9-16-6-2-3-7-17(16)12-19/h2-3,6-7,15,18H,4-5,8-14,19H2,1H3
InChIKeyBRZGUPYHBYDYSZ-UHFFFAOYSA-N
XLogP2.25
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]phenyl]methanamine
CID 79924464
[2-[2-(2-methylazepan-1-yl)ethyl]phenyl]methanamine
CID 81321986
2-[2-(3-fluorophenyl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925729
4-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]aniline
CID 79941257
[3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]phenyl]methanamine
CID 79924895
[2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine
CID 104690285
3-methyl-2-(3-phenylbutyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939714
1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol
CID 79917568
(3R)-2-[(2-methoxyphenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211253
[4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]methanamine
CID 79930626
N-[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]aniline
CID 79945632
6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-amine
CID 79943167

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]phenyl]methanamine?
The IUPAC name of [2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]phenyl]methanamine (CID 81314851) is [2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]phenyl]methanamine.
What is the SMILES notation for [2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]phenyl]methanamine?
The canonical SMILES for [2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]phenyl]methanamine is CC1CN2CCCCC2CN1CCc1ccccc1CN.
What is the InChIKey of [2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]phenyl]methanamine?
The InChIKey is BRZGUPYHBYDYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-15-13-21-10-5-4-8-18(21)14-20(15)11-9-16-6-2-3-7-17(16)12-19/h2-3,6-7,15,18H,4-5,8-14,19H2,1H3.
What are the key properties of [2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]phenyl]methanamine?
[2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]phenyl]methanamine has a molecular weight of 287.45 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]phenyl]methanamine is sourced from PubChem (CID 81314851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).