N-methyl-1-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]propan-1-amine

C17H28N4 — CID 115939741

IUPACN-methyl-1-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]propan-1-amine
SMILESCCC(NC)c1ccc(N2CC3CCCN3CC2C)cn1
InChIInChI=1S/C17H28N4/c1-4-16(18-3)17-8-7-14(10-19-17)21-12-15-6-5-9-20(15)11-13(21)2/h7-8,10,13,15-16,18H,4-6,9,11-12H2,1-3H3
InChIKeyJDDBIWAVACSFLH-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.42
Rot. Bonds4

About N-methyl-1-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]propan-1-amine

N-methyl-1-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]propan-1-amine (PubChem CID 115939741) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-methyl-1-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]propan-1-amine
PubChem CID115939741
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-methyl-1-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]propan-1-amine
SMILESCCC(NC)c1ccc(N2CC3CCCN3CC2C)cn1
InChIInChI=1S/C17H28N4/c1-4-16(18-3)17-8-7-14(10-19-17)21-12-15-6-5-9-20(15)11-13(21)2/h7-8,10,13,15-16,18H,4-6,9,11-12H2,1-3H3
InChIKeyJDDBIWAVACSFLH-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]piperidin-4-ol
CID 114678982
1-[5-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine
CID 106587252
N,N-diethyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-amine
CID 115939594
8-[6-[1-(methylamino)propyl]-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 115939641
3-methyl-2-(4-pyrrolidin-1-ylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79922744
N-[[4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methyl]cyclopropanamine
CID 79929011
1-[5-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine
CID 115939404
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
3-methyl-2-(4-propylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926456
2-[3-chloro-4-(chloromethyl)phenyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 114064463
N-ethyl-1-[5-(3-methylmorpholin-4-yl)-2-pyridinyl]propan-1-amine
CID 112584190
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]propan-1-amine?
The IUPAC name of N-methyl-1-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]propan-1-amine (CID 115939741) is N-methyl-1-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]propan-1-amine?
The canonical SMILES for N-methyl-1-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]propan-1-amine is CCC(NC)c1ccc(N2CC3CCCN3CC2C)cn1.
What is the InChIKey of N-methyl-1-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]propan-1-amine?
The InChIKey is JDDBIWAVACSFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-4-16(18-3)17-8-7-14(10-19-17)21-12-15-6-5-9-20(15)11-13(21)2/h7-8,10,13,15-16,18H,4-6,9,11-12H2,1-3H3.
What are the key properties of N-methyl-1-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]propan-1-amine?
N-methyl-1-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]propan-1-amine has a molecular weight of 288.44 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 115939741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).