3-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-1,3-diamine

C15H17N3 — CID 113365084

IUPAC3-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-1,3-diamine
SMILESNC1CC(NCc2cccnc2)c2ccccc21
InChIInChI=1S/C15H17N3/c16-14-8-15(13-6-2-1-5-12(13)14)18-10-11-4-3-7-17-9-11/h1-7,9,14-15,18H,8,10,16H2
InChIKeyXPDVXBBWQJJCQG-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.32
Rot. Bonds3

About 3-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-1,3-diamine

3-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-1,3-diamine (PubChem CID 113365084) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-1,3-diamine.

Molecular Properties

Compound Name3-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-1,3-diamine
PubChem CID113365084
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name3-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-1,3-diamine
SMILESNC1CC(NCc2cccnc2)c2ccccc21
InChIInChI=1S/C15H17N3/c16-14-8-15(13-6-2-1-5-12(13)14)18-10-11-4-3-7-17-9-11/h1-7,9,14-15,18H,8,10,16H2
InChIKeyXPDVXBBWQJJCQG-UHFFFAOYSA-N
XLogP2.32
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine
CID 46869803
2-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 65024916
3-(4-bromophenyl)-N-(pyridin-3-ylmethyl)cyclobutan-1-amine
CID 43634519
N-(pyridin-3-ylmethyl)pyrrolidin-2-amine
CID 90939130
N-(pyridin-3-ylmethyl)thian-4-amine
CID 43394819
(2S)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 30983305
2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 43769450
8-methyl-N-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131751
5-methyl-N-(pyridin-3-ylmethyl)thiolan-3-amine
CID 79941881
4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 126787190

Frequently Asked Questions

What is the IUPAC name of 3-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-1,3-diamine?
The IUPAC name of 3-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-1,3-diamine (CID 113365084) is 3-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-1,3-diamine.
What is the SMILES notation for 3-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-1,3-diamine?
The canonical SMILES for 3-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-1,3-diamine is NC1CC(NCc2cccnc2)c2ccccc21.
What is the InChIKey of 3-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-1,3-diamine?
The InChIKey is XPDVXBBWQJJCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c16-14-8-15(13-6-2-1-5-12(13)14)18-10-11-4-3-7-17-9-11/h1-7,9,14-15,18H,8,10,16H2.
What are the key properties of 3-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-1,3-diamine?
3-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-1,3-diamine has a molecular weight of 239.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-1,3-diamine is sourced from PubChem (CID 113365084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).