N-[[2-(aminomethyl)-3-pyridinyl]methyl]aniline

C13H15N3 — CID 105466958

IUPACN-[[2-(aminomethyl)-3-pyridinyl]methyl]aniline
SMILESNCc1ncccc1CNc1ccccc1
InChIInChI=1S/C13H15N3/c14-9-13-11(5-4-8-15-13)10-16-12-6-2-1-3-7-12/h1-8,16H,9-10,14H2
InChIKeyLOUMKGHSPVIGEM-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.15
Rot. Bonds4

About N-[[2-(aminomethyl)-3-pyridinyl]methyl]aniline

N-[[2-(aminomethyl)-3-pyridinyl]methyl]aniline (PubChem CID 105466958) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-3-pyridinyl]methyl]aniline.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-3-pyridinyl]methyl]aniline
PubChem CID105466958
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-[[2-(aminomethyl)-3-pyridinyl]methyl]aniline
SMILESNCc1ncccc1CNc1ccccc1
InChIInChI=1S/C13H15N3/c14-9-13-11(5-4-8-15-13)10-16-12-6-2-1-3-7-12/h1-8,16H,9-10,14H2
InChIKeyLOUMKGHSPVIGEM-UHFFFAOYSA-N
XLogP2.15
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(quinolin-8-ylmethyl)aniline
CID 28610045
2-[[2-(aminomethyl)-3-pyridinyl]methyl]isoindole-1,3-dione;hydrochloride
CID 67101110
[3-[(dimethylamino)methyl]-2-pyridinyl]methanamine
CID 62893638
[2-(hydrazinylmethyl)-3-pyridinyl]methylhydrazine;hydrochloride
CID 142768162
[3-(aminomethyl)-2-pyridinyl]methylcarbamic acid
CID 68918958
N-(quinolin-4-ylmethyl)aniline
CID 57199115
3-[[2-(aminomethyl)-3-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 62893824
[3-[(4-tert-butylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 62895524
trans-(1R,2S)-N-[[2-(aminomethyl)-3-pyridinyl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine
CID 122650162
[2-(phenoxymethyl)-3-pyridinyl]methanamine
CID 105467789
1-[[2-(aminomethyl)-3-pyridinyl]methyl]quinoxalin-2-one
CID 62893313
trans-(1S,2R)-N-[[2-(aminomethyl)-3-pyridinyl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;dihydrochloride
CID 135351491

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-3-pyridinyl]methyl]aniline?
The IUPAC name of N-[[2-(aminomethyl)-3-pyridinyl]methyl]aniline (CID 105466958) is N-[[2-(aminomethyl)-3-pyridinyl]methyl]aniline.
What is the SMILES notation for N-[[2-(aminomethyl)-3-pyridinyl]methyl]aniline?
The canonical SMILES for N-[[2-(aminomethyl)-3-pyridinyl]methyl]aniline is NCc1ncccc1CNc1ccccc1.
What is the InChIKey of N-[[2-(aminomethyl)-3-pyridinyl]methyl]aniline?
The InChIKey is LOUMKGHSPVIGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-9-13-11(5-4-8-15-13)10-16-12-6-2-1-3-7-12/h1-8,16H,9-10,14H2.
What are the key properties of N-[[2-(aminomethyl)-3-pyridinyl]methyl]aniline?
N-[[2-(aminomethyl)-3-pyridinyl]methyl]aniline has a molecular weight of 213.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-3-pyridinyl]methyl]aniline is sourced from PubChem (CID 105466958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).