N-[[5-(aminomethyl)-3-pyridinyl]methyl]aniline

C13H15N3 — CID 105466966

IUPACN-[[5-(aminomethyl)-3-pyridinyl]methyl]aniline
SMILESNCc1cncc(CNc2ccccc2)c1
InChIInChI=1S/C13H15N3/c14-7-11-6-12(9-15-8-11)10-16-13-4-2-1-3-5-13/h1-6,8-9,16H,7,10,14H2
InChIKeyRNSXJFRSJMZWSX-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.15
Rot. Bonds4

About N-[[5-(aminomethyl)-3-pyridinyl]methyl]aniline

N-[[5-(aminomethyl)-3-pyridinyl]methyl]aniline (PubChem CID 105466966) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-3-pyridinyl]methyl]aniline.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-3-pyridinyl]methyl]aniline
PubChem CID105466966
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-[[5-(aminomethyl)-3-pyridinyl]methyl]aniline
SMILESNCc1cncc(CNc2ccccc2)c1
InChIInChI=1S/C13H15N3/c14-7-11-6-12(9-15-8-11)10-16-13-4-2-1-3-5-13/h1-6,8-9,16H,7,10,14H2
InChIKeyRNSXJFRSJMZWSX-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-[[3-(aminomethyl)phenyl]methyl]pyridin-4-amine
CID 43589478
N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine
CID 167597738
CID 163931246
CID 163931246
N-(quinolin-3-ylmethyl)aniline
CID 12573835
N-[(3,5-dichloro-4-pyridinyl)methyl]aniline
CID 141060907
N-[[4-(aminomethyl)phenyl]methyl]pyridin-4-amine
CID 60918879
N-benzylpyridin-3-amine;dihydrochloride
CID 71432393
N-benzyl-5-chloropyridin-3-amine
CID 146273772
N-benzyl-4-methylaniline;methane;phenylmethanamine;1,4-xylene
CID 157155590
4-(anilinomethyl)aniline;dihydrochloride
CID 517605
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoroaniline
CID 105488137

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-3-pyridinyl]methyl]aniline?
The IUPAC name of N-[[5-(aminomethyl)-3-pyridinyl]methyl]aniline (CID 105466966) is N-[[5-(aminomethyl)-3-pyridinyl]methyl]aniline.
What is the SMILES notation for N-[[5-(aminomethyl)-3-pyridinyl]methyl]aniline?
The canonical SMILES for N-[[5-(aminomethyl)-3-pyridinyl]methyl]aniline is NCc1cncc(CNc2ccccc2)c1.
What is the InChIKey of N-[[5-(aminomethyl)-3-pyridinyl]methyl]aniline?
The InChIKey is RNSXJFRSJMZWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-7-11-6-12(9-15-8-11)10-16-13-4-2-1-3-5-13/h1-6,8-9,16H,7,10,14H2.
What are the key properties of N-[[5-(aminomethyl)-3-pyridinyl]methyl]aniline?
N-[[5-(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-[[5-(aminomethyl)-3-pyridinyl]methyl]aniline is sourced from PubChem (CID 105466966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).