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

C17H28N4 — CID 81254608

IUPACN-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(N2CCN3CCCC3C2)c(CNC(C)C)cn1
InChIInChI=1S/C17H28N4/c1-13(2)18-10-15-11-19-14(3)9-17(15)21-8-7-20-6-4-5-16(20)12-21/h9,11,13,16,18H,4-8,10,12H2,1-3H3
InChIKeyJPLKLTWJTKTUHI-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.17
Rot. Bonds4

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

N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine (PubChem CID 81254608) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
PubChem CID81254608
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(N2CCN3CCCC3C2)c(CNC(C)C)cn1
InChIInChI=1S/C17H28N4/c1-13(2)18-10-15-11-19-14(3)9-17(15)21-8-7-20-6-4-5-16(20)12-21/h9,11,13,16,18H,4-8,10,12H2,1-3H3
InChIKeyJPLKLTWJTKTUHI-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-bromophenyl]methyl]propan-2-amine
CID 79929693
[6-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 81247429
N-[[4-(4-cyclopropylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81248099
N-[[4-(3,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81247724
N-[[4-(3-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81246490
N-[[4-(2-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81248517
N-[[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 79945265
N-methyl-1-[6-methyl-4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 81246576
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
2-methyl-N-[[6-methyl-4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 81246198
N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]ethanamine
CID 81247402
1-[4-(4-ethylpiperazin-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81249737

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine (CID 81254608) is N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine is Cc1cc(N2CCN3CCCC3C2)c(CNC(C)C)cn1.
What is the InChIKey of N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is JPLKLTWJTKTUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-13(2)18-10-15-11-19-14(3)9-17(15)21-8-7-20-6-4-5-16(20)12-21/h9,11,13,16,18H,4-8,10,12H2,1-3H3.
What are the key properties of N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine?
N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 288.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 81254608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).