2-(aminomethyl)benzene-1,3-diamine

C7H11N3 — CID 18451650

IUPAC2-(aminomethyl)benzene-1,3-diamine
SMILESNCc1c(N)cccc1N
InChIInChI=1S/C7H11N3/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4,8-10H2
InChIKeyBBMYBTGYJPGPFK-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.31
Rot. Bonds1

About 2-(aminomethyl)benzene-1,3-diamine

2-(aminomethyl)benzene-1,3-diamine (PubChem CID 18451650) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 2-(aminomethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name2-(aminomethyl)benzene-1,3-diamine
PubChem CID18451650
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name2-(aminomethyl)benzene-1,3-diamine
SMILESNCc1c(N)cccc1N
InChIInChI=1S/C7H11N3/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4,8-10H2
InChIKeyBBMYBTGYJPGPFK-UHFFFAOYSA-N
XLogP0.31
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.31
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

2-(aminomethyl)-5-phenylbenzene-1,3-diamine
CID 66970488
(2,6-diphenylphenyl)methanamine
CID 72713892
naphthalen-1-amine;phenylmethanamine
CID 23298608
3-(aminomethyl)-2-chloroaniline
CID 69499181
benzene-1,2-diamine;ethane-1,2-diamine
CID 20510389
phenylmethanamine
CID 19864074
(2,6-diiodophenyl)methanamine
CID 165176750
3-amino-2-[2-(2-amino-6-carboxyphenyl)ethyl]benzoic acid
CID 154093192
3-chloro-2-(fluoromethyl)aniline
CID 70612781
4-[3-amino-2-(aminomethyl)phenyl]piperazine-1-sulfonamide
CID 145076009
2-(aminomethyl)aniline;hydrochloride
CID 69170371
phenylmethanamine;trihydrobromide
CID 175177372

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)benzene-1,3-diamine?
The IUPAC name of 2-(aminomethyl)benzene-1,3-diamine (CID 18451650) is 2-(aminomethyl)benzene-1,3-diamine.
What is the SMILES notation for 2-(aminomethyl)benzene-1,3-diamine?
The canonical SMILES for 2-(aminomethyl)benzene-1,3-diamine is NCc1c(N)cccc1N.
What is the InChIKey of 2-(aminomethyl)benzene-1,3-diamine?
The InChIKey is BBMYBTGYJPGPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4,8-10H2.
What are the key properties of 2-(aminomethyl)benzene-1,3-diamine?
2-(aminomethyl)benzene-1,3-diamine has a molecular weight of 137.19 g/mol, XLogP of 0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)benzene-1,3-diamine is sourced from PubChem (CID 18451650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).