benzene-1,2-diamine;N-methylmethanamine

C8H15N3 — CID 174458514

IUPACbenzene-1,2-diamine;N-methylmethanamine
SMILESCNC.Nc1ccccc1N
InChIInChI=1S/C6H8N2.C2H7N/c7-5-3-1-2-4-6(5)8;1-3-2/h1-4H,7-8H2;3H,1-2H3
InChIKeyUKKLWUHAWUUWBA-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.69
Rot. Bonds

About benzene-1,2-diamine;N-methylmethanamine

benzene-1,2-diamine;N-methylmethanamine (PubChem CID 174458514) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is benzene-1,2-diamine;N-methylmethanamine.

Molecular Properties

Compound Namebenzene-1,2-diamine;N-methylmethanamine
PubChem CID174458514
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Namebenzene-1,2-diamine;N-methylmethanamine
SMILESCNC.Nc1ccccc1N
InChIInChI=1S/C6H8N2.C2H7N/c7-5-3-1-2-4-6(5)8;1-3-2/h1-4H,7-8H2;3H,1-2H3
InChIKeyUKKLWUHAWUUWBA-UHFFFAOYSA-N
XLogP0.69
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,2-diamine;tetrahydrofluoride
CID 174941051
benzene-1,2-diamine;zinc
CID 70562194
CID 175145864
CID 175145864
CID 175440029
CID 175440029
benzene-1,2-diamine;hydrogen peroxide;hydrochloride
CID 175004407
ethane;2-N-methylbenzene-1,2-diamine
CID 91146948
CID 175394275
CID 175394275
CID 67897123
CID 67897123
CID 159002136
CID 159002136
2-methylaniline;dihydrochloride
CID 23331471
tris(2-methylaniline);phosphane
CID 158408493
benzene-1,2-diamine;ethane-1,2-diamine
CID 20510389

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diamine;N-methylmethanamine?
The IUPAC name of benzene-1,2-diamine;N-methylmethanamine (CID 174458514) is benzene-1,2-diamine;N-methylmethanamine.
What is the SMILES notation for benzene-1,2-diamine;N-methylmethanamine?
The canonical SMILES for benzene-1,2-diamine;N-methylmethanamine is CNC.Nc1ccccc1N.
What is the InChIKey of benzene-1,2-diamine;N-methylmethanamine?
The InChIKey is UKKLWUHAWUUWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.C2H7N/c7-5-3-1-2-4-6(5)8;1-3-2/h1-4H,7-8H2;3H,1-2H3.
What are the key properties of benzene-1,2-diamine;N-methylmethanamine?
benzene-1,2-diamine;N-methylmethanamine has a molecular weight of 153.23 g/mol, XLogP of 0.69, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diamine;N-methylmethanamine is sourced from PubChem (CID 174458514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).