N-[[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]propan-2-amine

C17H28N4 — CID 79934229

IUPACN-[[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(N2CC3CCCN3CC2C)c1
InChIInChI=1S/C17H28N4/c1-13(2)19-10-15-6-7-18-17(9-15)21-12-16-5-4-8-20(16)11-14(21)3/h6-7,9,13-14,16,19H,4-5,8,10-12H2,1-3H3
InChIKeyLQWKBNWUEVQNCR-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.25
Rot. Bonds4

About N-[[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]propan-2-amine

N-[[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 79934229) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]propan-2-amine
PubChem CID79934229
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-[[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(N2CC3CCCN3CC2C)c1
InChIInChI=1S/C17H28N4/c1-13(2)19-10-15-6-7-18-17(9-15)21-12-16-5-4-8-20(16)11-14(21)3/h6-7,9,13-14,16,19H,4-5,8,10-12H2,1-3H3
InChIKeyLQWKBNWUEVQNCR-UHFFFAOYSA-N
XLogP2.25
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]propan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 63169108
N-[[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridazin-3-yl]methyl]propan-2-amine
CID 79934416
N-[[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 55055040
2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-4-amine
CID 79930729
N-methyl-1-[2-(2-methylpyrrolidin-1-yl)-4-pyridinyl]methanamine
CID 62286079
N-[[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62288369
N-[[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-pyridinyl]methyl]propan-2-amine
CID 63151739
N-[[4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine
CID 79946234
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]ethanamine
CID 79925273
1-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]butan-2-amine
CID 80629818
2-(6-fluoropyrimidin-4-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115417184
N-[[4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methyl]cyclopropanamine
CID 79929011

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]propan-2-amine (CID 79934229) is N-[[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccnc(N2CC3CCCN3CC2C)c1.
What is the InChIKey of N-[[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is LQWKBNWUEVQNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-13(2)19-10-15-6-7-18-17(9-15)21-12-16-5-4-8-20(16)11-14(21)3/h6-7,9,13-14,16,19H,4-5,8,10-12H2,1-3H3.
What are the key properties of N-[[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]propan-2-amine?
N-[[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 288.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 79934229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).