6-(aminomethyl)-N-[1-(3-aminophenyl)ethyl]pyridin-2-amine;formic acid

C15H20N4O2 — CID 171678869

IUPAC6-(aminomethyl)-N-[1-(3-aminophenyl)ethyl]pyridin-2-amine;formic acid
SMILESCC(Nc1cccc(CN)n1)c1cccc(N)c1.O=CO
InChIInChI=1S/C14H18N4.CH2O2/c1-10(11-4-2-5-12(16)8-11)17-14-7-3-6-13(9-15)18-14;2-1-3/h2-8,10H,9,15-16H2,1H3,(H,17,18);1H,(H,2,3)
InChIKeyBKGLJRZJNXHENX-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.00
Rot. Bonds4

About 6-(aminomethyl)-N-[1-(3-aminophenyl)ethyl]pyridin-2-amine;formic acid

6-(aminomethyl)-N-[1-(3-aminophenyl)ethyl]pyridin-2-amine;formic acid (PubChem CID 171678869) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-(aminomethyl)-N-[1-(3-aminophenyl)ethyl]pyridin-2-amine;formic acid.

Molecular Properties

Compound Name6-(aminomethyl)-N-[1-(3-aminophenyl)ethyl]pyridin-2-amine;formic acid
PubChem CID171678869
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-(aminomethyl)-N-[1-(3-aminophenyl)ethyl]pyridin-2-amine;formic acid
SMILESCC(Nc1cccc(CN)n1)c1cccc(N)c1.O=CO
InChIInChI=1S/C14H18N4.CH2O2/c1-10(11-4-2-5-12(16)8-11)17-14-7-3-6-13(9-15)18-14;2-1-3/h2-8,10H,9,15-16H2,1H3,(H,17,18);1H,(H,2,3)
InChIKeyBKGLJRZJNXHENX-UHFFFAOYSA-N
XLogP2.00
TPSA114.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-aminophenyl)ethyl]pyridin-2-amine
CID 60869070
2-[[6-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 79254007
N-[1-(3-aminophenyl)ethyl]-6-propylpyrimidin-4-amine
CID 61240540
N-[1-(3-aminophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66333286
6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine
CID 80646586
N-[6-(aminomethyl)-2-pyridinyl]-3-methylbutanamide
CID 82343819
1-[6-(aminomethyl)-2-pyridinyl]-3-(2-methylpropyl)urea
CID 165487408
N-[1-(4-aminophenyl)ethyl]-6-methylpyridin-2-amine
CID 60870792
N-[1-(3,5-dimethylphenyl)ethyl]-6-fluoropyridin-2-amine
CID 113233091
1-(3-aminophenyl)-2-methylbut-3-en-1-ol
CID 142652778
3-(3-aminophenyl)-3-hydroxypropanal
CID 102502170
4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 113221029

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-[1-(3-aminophenyl)ethyl]pyridin-2-amine;formic acid?
The IUPAC name of 6-(aminomethyl)-N-[1-(3-aminophenyl)ethyl]pyridin-2-amine;formic acid (CID 171678869) is 6-(aminomethyl)-N-[1-(3-aminophenyl)ethyl]pyridin-2-amine;formic acid.
What is the SMILES notation for 6-(aminomethyl)-N-[1-(3-aminophenyl)ethyl]pyridin-2-amine;formic acid?
The canonical SMILES for 6-(aminomethyl)-N-[1-(3-aminophenyl)ethyl]pyridin-2-amine;formic acid is CC(Nc1cccc(CN)n1)c1cccc(N)c1.O=CO.
What is the InChIKey of 6-(aminomethyl)-N-[1-(3-aminophenyl)ethyl]pyridin-2-amine;formic acid?
The InChIKey is BKGLJRZJNXHENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4.CH2O2/c1-10(11-4-2-5-12(16)8-11)17-14-7-3-6-13(9-15)18-14;2-1-3/h2-8,10H,9,15-16H2,1H3,(H,17,18);1H,(H,2,3).
What are the key properties of 6-(aminomethyl)-N-[1-(3-aminophenyl)ethyl]pyridin-2-amine;formic acid?
6-(aminomethyl)-N-[1-(3-aminophenyl)ethyl]pyridin-2-amine;formic acid has a molecular weight of 288.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-[1-(3-aminophenyl)ethyl]pyridin-2-amine;formic acid is sourced from PubChem (CID 171678869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).