(E)-N'-(aminomethyl)-2-ethenylbut-2-ene-1,4-diamine

C7H15N3 — CID 89185795

IUPAC(E)-N'-(aminomethyl)-2-ethenylbut-2-ene-1,4-diamine
SMILESC=C/C(=C\CNCN)CN
InChIInChI=1S/C7H15N3/c1-2-7(5-8)3-4-10-6-9/h2-3,10H,1,4-6,8-9H2/b7-3+
InChIKeyRNLQKMJGLZSSSH-XVNBXDOJSA-N
MW141.22 g/mol
LogP-0.44
Rot. Bonds5

About (E)-N'-(aminomethyl)-2-ethenylbut-2-ene-1,4-diamine

(E)-N'-(aminomethyl)-2-ethenylbut-2-ene-1,4-diamine (PubChem CID 89185795) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is (E)-N'-(aminomethyl)-2-ethenylbut-2-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-N'-(aminomethyl)-2-ethenylbut-2-ene-1,4-diamine
PubChem CID89185795
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name(E)-N'-(aminomethyl)-2-ethenylbut-2-ene-1,4-diamine
SMILESC=C/C(=C\CNCN)CN
InChIInChI=1S/C7H15N3/c1-2-7(5-8)3-4-10-6-9/h2-3,10H,1,4-6,8-9H2/b7-3+
InChIKeyRNLQKMJGLZSSSH-XVNBXDOJSA-N
XLogP-0.44
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N'-(aminomethyl)-2-ethenylbut-2-ene-1,4-diamine?
The IUPAC name of (E)-N'-(aminomethyl)-2-ethenylbut-2-ene-1,4-diamine (CID 89185795) is (E)-N'-(aminomethyl)-2-ethenylbut-2-ene-1,4-diamine.
What is the SMILES notation for (E)-N'-(aminomethyl)-2-ethenylbut-2-ene-1,4-diamine?
The canonical SMILES for (E)-N'-(aminomethyl)-2-ethenylbut-2-ene-1,4-diamine is C=C/C(=C\CNCN)CN.
What is the InChIKey of (E)-N'-(aminomethyl)-2-ethenylbut-2-ene-1,4-diamine?
The InChIKey is RNLQKMJGLZSSSH-XVNBXDOJSA-N. The full InChI is InChI=1S/C7H15N3/c1-2-7(5-8)3-4-10-6-9/h2-3,10H,1,4-6,8-9H2/b7-3+.
What are the key properties of (E)-N'-(aminomethyl)-2-ethenylbut-2-ene-1,4-diamine?
(E)-N'-(aminomethyl)-2-ethenylbut-2-ene-1,4-diamine has a molecular weight of 141.22 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(aminomethyl)-2-ethenylbut-2-ene-1,4-diamine is sourced from PubChem (CID 89185795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).