N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]prop-2-yn-1-amine

C13H23N3 — CID 79935542

IUPACN-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]prop-2-yn-1-amine
SMILESC#CCNCCN1CCN2CCCCC2C1
InChIInChI=1S/C13H23N3/c1-2-6-14-7-9-15-10-11-16-8-4-3-5-13(16)12-15/h1,13-14H,3-12H2
InChIKeyPQURWPGNNIXXMN-UHFFFAOYSA-N
MW221.35 g/mol
LogP0.38
Rot. Bonds4

About N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]prop-2-yn-1-amine

N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]prop-2-yn-1-amine (PubChem CID 79935542) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]prop-2-yn-1-amine
PubChem CID79935542
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]prop-2-yn-1-amine
SMILESC#CCNCCN1CCN2CCCCC2C1
InChIInChI=1S/C13H23N3/c1-2-6-14-7-9-15-10-11-16-8-4-3-5-13(16)12-15/h1,13-14H,3-12H2
InChIKeyPQURWPGNNIXXMN-UHFFFAOYSA-N
XLogP0.38
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-methylpropan-2-amine
CID 79931860
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(dicyclopropylmethyl)ethanamine
CID 79917075
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethylpropan-1-amine
CID 79931937
2-(2-prop-2-ynylsulfanylethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 106432762
N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-methoxypropan-1-amine
CID 79936511
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methylbutan-2-amine
CID 79932112
N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-2-methylcyclohexan-1-amine
CID 79945993
2-propyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;yttrium(3+)
CID 23593660
2-(2-piperidin-1-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 127337010
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 79924900
N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]propan-1-amine
CID 62369763
2-(2-ethoxyethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115824243

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]prop-2-yn-1-amine?
The IUPAC name of N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]prop-2-yn-1-amine (CID 79935542) is N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]prop-2-yn-1-amine?
The canonical SMILES for N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]prop-2-yn-1-amine is C#CCNCCN1CCN2CCCCC2C1.
What is the InChIKey of N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]prop-2-yn-1-amine?
The InChIKey is PQURWPGNNIXXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-2-6-14-7-9-15-10-11-16-8-4-3-5-13(16)12-15/h1,13-14H,3-12H2.
What are the key properties of N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]prop-2-yn-1-amine?
N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]prop-2-yn-1-amine has a molecular weight of 221.35 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]prop-2-yn-1-amine is sourced from PubChem (CID 79935542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).