N-[[6-(1,3-dihydroisoindol-2-yl)-5-methyl-3-pyridinyl]methyl]ethanamine

C17H21N3 — CID 80635931

IUPACN-[[6-(1,3-dihydroisoindol-2-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(N2Cc3ccccc3C2)c(C)c1
InChIInChI=1S/C17H21N3/c1-3-18-9-14-8-13(2)17(19-10-14)20-11-15-6-4-5-7-16(15)12-20/h4-8,10,18H,3,9,11-12H2,1-2H3
InChIKeyZILWXULXJWBOEJ-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.02
Rot. Bonds4

About N-[[6-(1,3-dihydroisoindol-2-yl)-5-methyl-3-pyridinyl]methyl]ethanamine

N-[[6-(1,3-dihydroisoindol-2-yl)-5-methyl-3-pyridinyl]methyl]ethanamine (PubChem CID 80635931) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[[6-(1,3-dihydroisoindol-2-yl)-5-methyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(1,3-dihydroisoindol-2-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
PubChem CID80635931
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-[[6-(1,3-dihydroisoindol-2-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(N2Cc3ccccc3C2)c(C)c1
InChIInChI=1S/C17H21N3/c1-3-18-9-14-8-13(2)17(19-10-14)20-11-15-6-4-5-7-16(15)12-20/h4-8,10,18H,3,9,11-12H2,1-2H3
InChIKeyZILWXULXJWBOEJ-UHFFFAOYSA-N
XLogP3.02
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tripelennamine
CID 5587
2-(Benzylamino)pyridine
CID 23362
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
Thiourea, N-(5-methyl-2-pyridinyl)-N'-(2-phenylethyl)-
CID 971434
2-(1,2-Diphenylethylamino)-pyridine
CID 3057340
Normirtazapine
CID 10467350
5-(7-Azabicyclo[2.2.1]heptan-2-yl)-3-phenylpyridin-2-amine
CID 10084227
Dimethyl{4-[(2-pyridylamino)methyl]phenyl}amine
CID 975588
N-(2-phenylethyl)-5-(trifluoromethyl)-2-pyridinamine
CID 2990515
N-(4,5-dimethylpyrido[4,3-b]indol-1-yl)-N',N'-diethylpropane-1,3-diamine
CID 183273
N-(4,5-dimethylpyrido[4,3-b]indol-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 183275
1-(3-Methylpyridin-2-yl)-3-(2-phenylethyl)thiourea
CID 2240742

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1,3-dihydroisoindol-2-yl)-5-methyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(1,3-dihydroisoindol-2-yl)-5-methyl-3-pyridinyl]methyl]ethanamine (CID 80635931) is N-[[6-(1,3-dihydroisoindol-2-yl)-5-methyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(1,3-dihydroisoindol-2-yl)-5-methyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(1,3-dihydroisoindol-2-yl)-5-methyl-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(N2Cc3ccccc3C2)c(C)c1.
What is the InChIKey of N-[[6-(1,3-dihydroisoindol-2-yl)-5-methyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is ZILWXULXJWBOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-3-18-9-14-8-13(2)17(19-10-14)20-11-15-6-4-5-7-16(15)12-20/h4-8,10,18H,3,9,11-12H2,1-2H3.
What are the key properties of N-[[6-(1,3-dihydroisoindol-2-yl)-5-methyl-3-pyridinyl]methyl]ethanamine?
N-[[6-(1,3-dihydroisoindol-2-yl)-5-methyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 267.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1,3-dihydroisoindol-2-yl)-5-methyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 80635931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).