4-(aminomethyl)-2-N-methylbenzene-1,2-diamine

C8H13N3 — CID 89230941

IUPAC4-(aminomethyl)-2-N-methylbenzene-1,2-diamine
SMILESCNc1cc(CN)ccc1N
InChIInChI=1S/C8H13N3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,11H,5,9-10H2,1H3
InChIKeyRCUFROGKZKIQPE-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.77
Rot. Bonds2

About 4-(aminomethyl)-2-N-methylbenzene-1,2-diamine

4-(aminomethyl)-2-N-methylbenzene-1,2-diamine (PubChem CID 89230941) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-(aminomethyl)-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-(aminomethyl)-2-N-methylbenzene-1,2-diamine
PubChem CID89230941
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name4-(aminomethyl)-2-N-methylbenzene-1,2-diamine
SMILESCNc1cc(CN)ccc1N
InChIInChI=1S/C8H13N3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,11H,5,9-10H2,1H3
InChIKeyRCUFROGKZKIQPE-UHFFFAOYSA-N
XLogP0.77
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 4-(aminomethyl)-2-N-methylbenzene-1,2-diamine (CID 89230941) is 4-(aminomethyl)-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-(aminomethyl)-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 4-(aminomethyl)-2-N-methylbenzene-1,2-diamine is CNc1cc(CN)ccc1N.
What is the InChIKey of 4-(aminomethyl)-2-N-methylbenzene-1,2-diamine?
The InChIKey is RCUFROGKZKIQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,11H,5,9-10H2,1H3.
What are the key properties of 4-(aminomethyl)-2-N-methylbenzene-1,2-diamine?
4-(aminomethyl)-2-N-methylbenzene-1,2-diamine has a molecular weight of 151.21 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 89230941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).