2-(cyclopropylamino)-2-methyl-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanenitrile

C17H30N4 — CID 79917003

IUPAC2-(cyclopropylamino)-2-methyl-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanenitrile
SMILESCC1CN2CCCCC2CN1CCC(C)(C#N)NC1CC1
InChIInChI=1S/C17H30N4/c1-14-11-21-9-4-3-5-16(21)12-20(14)10-8-17(2,13-18)19-15-6-7-15/h14-16,19H,3-12H2,1-2H3
InChIKeyOLURGCSMMMRIQX-UHFFFAOYSA-N
MW290.45 g/mol
LogP1.97
Rot. Bonds5

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

2-(cyclopropylamino)-2-methyl-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanenitrile (PubChem CID 79917003) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanenitrile
PubChem CID79917003
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name2-(cyclopropylamino)-2-methyl-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanenitrile
SMILESCC1CN2CCCCC2CN1CCC(C)(C#N)NC1CC1
InChIInChI=1S/C17H30N4/c1-14-11-21-9-4-3-5-16(21)12-20(14)10-8-17(2,13-18)19-15-6-7-15/h14-16,19H,3-12H2,1-2H3
InChIKeyOLURGCSMMMRIQX-UHFFFAOYSA-N
XLogP1.97
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]propan-2-amine
CID 79935975
2-methyl-2-(methylamino)-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butan-1-ol
CID 79924573
2-amino-2-ethyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentanenitrile
CID 106803860
N,4,4-trimethyl-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-3-amine
CID 79925267
N-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexyl]cyclopropanamine
CID 79918072
2-amino-2-methyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentanamide
CID 79934992
N-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclopentanamine
CID 79944036
N-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclohexanamine
CID 79047120
2,2,2-trifluoro-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]ethanamine
CID 79935382
N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]prop-2-en-1-amine
CID 79935553
N-[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]cyclopentanamine
CID 79945215
N-[2-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]pentyl]cyclopropanamine
CID 79933854

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanenitrile?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanenitrile (CID 79917003) is 2-(cyclopropylamino)-2-methyl-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanenitrile is CC1CN2CCCCC2CN1CCC(C)(C#N)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanenitrile?
The InChIKey is OLURGCSMMMRIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-14-11-21-9-4-3-5-16(21)12-20(14)10-8-17(2,13-18)19-15-6-7-15/h14-16,19H,3-12H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanenitrile?
2-(cyclopropylamino)-2-methyl-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanenitrile has a molecular weight of 290.45 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanenitrile is sourced from PubChem (CID 79917003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).