2-(aminomethyl)-1-N'-methylbuta-1,3-diene-1,1,4-triamine

C6H14N4 — CID 163554564

IUPAC2-(aminomethyl)-1-N'-methylbuta-1,3-diene-1,1,4-triamine
SMILESCNC(N)=C(C=CN)CN
InChIInChI=1S/C6H14N4/c1-10-6(9)5(4-8)2-3-7/h2-3,10H,4,7-9H2,1H3
InChIKeyFLXKGPJQKSCIRJ-UHFFFAOYSA-N
MW142.21 g/mol
LogP-1.19
Rot. Bonds3

About 2-(aminomethyl)-1-N'-methylbuta-1,3-diene-1,1,4-triamine

2-(aminomethyl)-1-N'-methylbuta-1,3-diene-1,1,4-triamine (PubChem CID 163554564) has the molecular formula C6H14N4 and a molecular weight of 142.21 g/mol. Its IUPAC name is 2-(aminomethyl)-1-N'-methylbuta-1,3-diene-1,1,4-triamine.

Molecular Properties

Compound Name2-(aminomethyl)-1-N'-methylbuta-1,3-diene-1,1,4-triamine
PubChem CID163554564
Molecular FormulaC6H14N4
Molecular Weight142.21 g/mol
Exact Mass142.12
IUPAC Name2-(aminomethyl)-1-N'-methylbuta-1,3-diene-1,1,4-triamine
SMILESCNC(N)=C(C=CN)CN
InChIInChI=1S/C6H14N4/c1-10-6(9)5(4-8)2-3-7/h2-3,10H,4,7-9H2,1H3
InChIKeyFLXKGPJQKSCIRJ-UHFFFAOYSA-N
XLogP-1.19
TPSA90.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.21
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-N'-methylbuta-1,3-diene-1,1,4-triamine?
The IUPAC name of 2-(aminomethyl)-1-N'-methylbuta-1,3-diene-1,1,4-triamine (CID 163554564) is 2-(aminomethyl)-1-N'-methylbuta-1,3-diene-1,1,4-triamine.
What is the SMILES notation for 2-(aminomethyl)-1-N'-methylbuta-1,3-diene-1,1,4-triamine?
The canonical SMILES for 2-(aminomethyl)-1-N'-methylbuta-1,3-diene-1,1,4-triamine is CNC(N)=C(C=CN)CN.
What is the InChIKey of 2-(aminomethyl)-1-N'-methylbuta-1,3-diene-1,1,4-triamine?
The InChIKey is FLXKGPJQKSCIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4/c1-10-6(9)5(4-8)2-3-7/h2-3,10H,4,7-9H2,1H3.
What are the key properties of 2-(aminomethyl)-1-N'-methylbuta-1,3-diene-1,1,4-triamine?
2-(aminomethyl)-1-N'-methylbuta-1,3-diene-1,1,4-triamine has a molecular weight of 142.21 g/mol, XLogP of -1.19, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-N'-methylbuta-1,3-diene-1,1,4-triamine is sourced from PubChem (CID 163554564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).