2-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine

C17H28N4 — CID 120844114

IUPAC2-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
SMILESCCN(C)c1ccc(CN2CC3CCCC(N)C3C2)cn1
InChIInChI=1S/C17H28N4/c1-3-20(2)17-8-7-13(9-19-17)10-21-11-14-5-4-6-16(18)15(14)12-21/h7-9,14-16H,3-6,10-12,18H2,1-2H3
InChIKeyXKUQMDJAKHXDMJ-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.10
Rot. Bonds4

About 2-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine

2-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine (PubChem CID 120844114) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine.

Molecular Properties

Compound Name2-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
PubChem CID120844114
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name2-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
SMILESCCN(C)c1ccc(CN2CC3CCCC(N)C3C2)cn1
InChIInChI=1S/C17H28N4/c1-3-20(2)17-8-7-13(9-19-17)10-21-11-14-5-4-6-16(18)15(14)12-21/h7-9,14-16H,3-6,10-12,18H2,1-2H3
InChIKeyXKUQMDJAKHXDMJ-UHFFFAOYSA-N
XLogP2.10
TPSA45.39 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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine with MolForge

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Related Compounds

2-[(6-methoxy-3-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 114937577
5-[(3,5-dimethylpiperazin-1-yl)methyl]-N-ethyl-N-methylpyridin-2-amine
CID 120840096
5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120837821
(3aR,4S,7aR)-2-benzyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 98166877
(3aR,4R,7aS)-2-benzyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 82390798
5-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120841116
5-[[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120846718
5-[[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-N,N-dimethylpyridin-2-amine
CID 77088674
[1-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone
CID 120836162
2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 120966841
(4S)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 71742370
(3aR,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 59011511

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine?
The IUPAC name of 2-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine (CID 120844114) is 2-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine.
What is the SMILES notation for 2-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine?
The canonical SMILES for 2-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine is CCN(C)c1ccc(CN2CC3CCCC(N)C3C2)cn1.
What is the InChIKey of 2-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine?
The InChIKey is XKUQMDJAKHXDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-20(2)17-8-7-13(9-19-17)10-21-11-14-5-4-6-16(18)15(14)12-21/h7-9,14-16H,3-6,10-12,18H2,1-2H3.
What are the key properties of 2-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine?
2-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine has a molecular weight of 288.44 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine is sourced from PubChem (CID 120844114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).