N-[3-(aminomethyl)phenyl]cinnolin-4-amine

C15H14N4 — CID 63767613

IUPACN-[3-(aminomethyl)phenyl]cinnolin-4-amine
SMILESNCc1cccc(Nc2cnnc3ccccc23)c1
InChIInChI=1S/C15H14N4/c16-9-11-4-3-5-12(8-11)18-15-10-17-19-14-7-2-1-6-13(14)15/h1-8,10H,9,16H2,(H,18,19)
InChIKeyKYRJIFWSVOIXGX-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.83
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]cinnolin-4-amine

N-[3-(aminomethyl)phenyl]cinnolin-4-amine (PubChem CID 63767613) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]cinnolin-4-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]cinnolin-4-amine
PubChem CID63767613
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC NameN-[3-(aminomethyl)phenyl]cinnolin-4-amine
SMILESNCc1cccc(Nc2cnnc3ccccc23)c1
InChIInChI=1S/C15H14N4/c16-9-11-4-3-5-12(8-11)18-15-10-17-19-14-7-2-1-6-13(14)15/h1-8,10H,9,16H2,(H,18,19)
InChIKeyKYRJIFWSVOIXGX-UHFFFAOYSA-N
XLogP2.83
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline
CID 174680323
N-[3-(aminomethyl)phenyl]quinoxalin-2-amine
CID 63767788
cinnolin-4-ylhydrazine
CID 39733519
N-methylcinnolin-4-amine
CID 6412705
N-[3-(aminomethyl)phenyl]-5-methyl-1,2-oxazol-4-amine
CID 115022985
2-[3-(aminomethyl)anilino]benzenesulfonamide
CID 63767784
N-[3-(aminomethyl)phenyl]-5-tert-butylpyridin-3-amine
CID 59849461
(4-cinnolin-4-yloxy-3-fluorophenyl)methanamine
CID 107667255
N-[(1-aminocyclobutyl)methyl]cinnolin-4-amine
CID 103353871
3-N-cinnolin-4-yl-3-methylpentane-1,3-diamine
CID 106166028
N-propan-2-ylcinnolin-4-amine
CID 39733520
N-cinnolin-4-ylformamide
CID 87322157

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]cinnolin-4-amine?
The IUPAC name of N-[3-(aminomethyl)phenyl]cinnolin-4-amine (CID 63767613) is N-[3-(aminomethyl)phenyl]cinnolin-4-amine.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]cinnolin-4-amine?
The canonical SMILES for N-[3-(aminomethyl)phenyl]cinnolin-4-amine is NCc1cccc(Nc2cnnc3ccccc23)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]cinnolin-4-amine?
The InChIKey is KYRJIFWSVOIXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-9-11-4-3-5-12(8-11)18-15-10-17-19-14-7-2-1-6-13(14)15/h1-8,10H,9,16H2,(H,18,19).
What are the key properties of N-[3-(aminomethyl)phenyl]cinnolin-4-amine?
N-[3-(aminomethyl)phenyl]cinnolin-4-amine has a molecular weight of 250.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]cinnolin-4-amine is sourced from PubChem (CID 63767613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).