3,5-bis(aminomethyl)aniline

C8H13N3 — CID 23346986

IUPAC3,5-bis(aminomethyl)aniline
SMILESNCc1cc(N)cc(CN)c1
InChIInChI=1S/C8H13N3/c9-4-6-1-7(5-10)3-8(11)2-6/h1-3H,4-5,9-11H2
InChIKeyZSLWLDZEJWEESW-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.19
Rot. Bonds2

About 3,5-bis(aminomethyl)aniline

3,5-bis(aminomethyl)aniline (PubChem CID 23346986) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 3,5-bis(aminomethyl)aniline.

Molecular Properties

Compound Name3,5-bis(aminomethyl)aniline
PubChem CID23346986
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name3,5-bis(aminomethyl)aniline
SMILESNCc1cc(N)cc(CN)c1
InChIInChI=1S/C8H13N3/c9-4-6-1-7(5-10)3-8(11)2-6/h1-3H,4-5,9-11H2
InChIKeyZSLWLDZEJWEESW-UHFFFAOYSA-N
XLogP0.19
TPSA78.06 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 ≤ 50.19
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 3,5-bis(aminomethyl)aniline?
The IUPAC name of 3,5-bis(aminomethyl)aniline (CID 23346986) is 3,5-bis(aminomethyl)aniline.
What is the SMILES notation for 3,5-bis(aminomethyl)aniline?
The canonical SMILES for 3,5-bis(aminomethyl)aniline is NCc1cc(N)cc(CN)c1.
What is the InChIKey of 3,5-bis(aminomethyl)aniline?
The InChIKey is ZSLWLDZEJWEESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c9-4-6-1-7(5-10)3-8(11)2-6/h1-3H,4-5,9-11H2.
What are the key properties of 3,5-bis(aminomethyl)aniline?
3,5-bis(aminomethyl)aniline has a molecular weight of 151.21 g/mol, XLogP of 0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(aminomethyl)aniline is sourced from PubChem (CID 23346986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).