N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine

C17H28N4 — CID 107380430

IUPACN-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(N2CCCC3CCCC32)cn1
InChIInChI=1S/C17H28N4/c1-13(2)9-18-10-15-11-20-17(12-19-15)21-8-4-6-14-5-3-7-16(14)21/h11-14,16,18H,3-10H2,1-2H3
InChIKeyXRWFLIYFDKJRFQ-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.99
Rot. Bonds5

About N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 107380430) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID107380430
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(N2CCCC3CCCC32)cn1
InChIInChI=1S/C17H28N4/c1-13(2)9-18-10-15-11-20-17(12-19-15)21-8-4-6-14-5-3-7-16(14)21/h11-14,16,18H,3-10H2,1-2H3
InChIKeyXRWFLIYFDKJRFQ-UHFFFAOYSA-N
XLogP2.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107380713
N-[[5-(2-cyclopentylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 107379535
N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine
CID 107381002
N-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65322638
N-[[5-(2,5-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107380459
N-[[5-(3-ethoxypiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107379920
N-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107380986
N-[[5-(3,4-dimethoxypyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381080
N-[[5-(2,6-dimethylmorpholin-4-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107378849
2-methyl-N-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107379011
N-[[5-[4-(methoxymethyl)piperidin-1-yl]pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107380346
2-methyl-N-[[5-(1,4-thiazepan-4-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107379892

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine (CID 107380430) is N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cnc(N2CCCC3CCCC32)cn1.
What is the InChIKey of N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is XRWFLIYFDKJRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-13(2)9-18-10-15-11-20-17(12-19-15)21-8-4-6-14-5-3-7-16(14)21/h11-14,16,18H,3-10H2,1-2H3.
What are the key properties of N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 288.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107380430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).