N-[2,3-bis(aminomethyl)phenyl]-4-methylpyridin-2-amine

C14H18N4 — CID 151683614

IUPACN-[2,3-bis(aminomethyl)phenyl]-4-methylpyridin-2-amine
SMILESCc1ccnc(Nc2cccc(CN)c2CN)c1
InChIInChI=1S/C14H18N4/c1-10-5-6-17-14(7-10)18-13-4-2-3-11(8-15)12(13)9-16/h2-7H,8-9,15-16H2,1H3,(H,17,18)
InChIKeyRBBHVWDWBFMWAI-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.05
Rot. Bonds4

About N-[2,3-bis(aminomethyl)phenyl]-4-methylpyridin-2-amine

N-[2,3-bis(aminomethyl)phenyl]-4-methylpyridin-2-amine (PubChem CID 151683614) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-[2,3-bis(aminomethyl)phenyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[2,3-bis(aminomethyl)phenyl]-4-methylpyridin-2-amine
PubChem CID151683614
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-[2,3-bis(aminomethyl)phenyl]-4-methylpyridin-2-amine
SMILESCc1ccnc(Nc2cccc(CN)c2CN)c1
InChIInChI=1S/C14H18N4/c1-10-5-6-17-14(7-10)18-13-4-2-3-11(8-15)12(13)9-16/h2-7H,8-9,15-16H2,1H3,(H,17,18)
InChIKeyRBBHVWDWBFMWAI-UHFFFAOYSA-N
XLogP2.05
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;(4-methyl-2-pyridinyl)methanamine
CID 142030002
4-N-(4-methyl-2-pyridinyl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545164
N-(2-fluoro-4-methylphenyl)-4-methylpyridin-2-amine
CID 91756465
N-(1,3-dimethylpyrazol-4-yl)-4-methylpyridin-2-amine
CID 102806091
N-(4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 80554705
N-(3,5-dimethylphenyl)-4-methylpyridin-2-amine
CID 53414319
6-N-(2,3-dichlorophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22545178
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
2-imino-2-[2-[(4-methyl-2-pyridinyl)amino]phenyl]acetamide
CID 144793221
N,4-dimethylpyridin-2-amine;hydrochloride
CID 54595444
N-(2,5-dimethoxyphenyl)-4-methylpyridin-2-amine
CID 91756707
4-N-(2-methyl-3-pyridinyl)pyrimidine-4,6-diamine
CID 114561921

Frequently Asked Questions

What is the IUPAC name of N-[2,3-bis(aminomethyl)phenyl]-4-methylpyridin-2-amine?
The IUPAC name of N-[2,3-bis(aminomethyl)phenyl]-4-methylpyridin-2-amine (CID 151683614) is N-[2,3-bis(aminomethyl)phenyl]-4-methylpyridin-2-amine.
What is the SMILES notation for N-[2,3-bis(aminomethyl)phenyl]-4-methylpyridin-2-amine?
The canonical SMILES for N-[2,3-bis(aminomethyl)phenyl]-4-methylpyridin-2-amine is Cc1ccnc(Nc2cccc(CN)c2CN)c1.
What is the InChIKey of N-[2,3-bis(aminomethyl)phenyl]-4-methylpyridin-2-amine?
The InChIKey is RBBHVWDWBFMWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-5-6-17-14(7-10)18-13-4-2-3-11(8-15)12(13)9-16/h2-7H,8-9,15-16H2,1H3,(H,17,18).
What are the key properties of N-[2,3-bis(aminomethyl)phenyl]-4-methylpyridin-2-amine?
N-[2,3-bis(aminomethyl)phenyl]-4-methylpyridin-2-amine has a molecular weight of 242.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-bis(aminomethyl)phenyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 151683614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).