N'-[2-(but-3-en-2-ylideneamino)ethyl]-N-methylethane-1,2-diamine

C9H19N3 — CID 134485867

IUPACN'-[2-(but-3-en-2-ylideneamino)ethyl]-N-methylethane-1,2-diamine
SMILESC=C/C(C)=N/CCNCCNC
InChIInChI=1S/C9H19N3/c1-4-9(2)12-8-7-11-6-5-10-3/h4,10-11H,1,5-8H2,2-3H3/b12-9+
InChIKeyGIELSMYRAVDYDI-FMIVXFBMSA-N
MW169.27 g/mol
LogP0.44
Rot. Bonds7

About N'-[2-(but-3-en-2-ylideneamino)ethyl]-N-methylethane-1,2-diamine

N'-[2-(but-3-en-2-ylideneamino)ethyl]-N-methylethane-1,2-diamine (PubChem CID 134485867) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N'-[2-(but-3-en-2-ylideneamino)ethyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(but-3-en-2-ylideneamino)ethyl]-N-methylethane-1,2-diamine
PubChem CID134485867
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN'-[2-(but-3-en-2-ylideneamino)ethyl]-N-methylethane-1,2-diamine
SMILESC=C/C(C)=N/CCNCCNC
InChIInChI=1S/C9H19N3/c1-4-9(2)12-8-7-11-6-5-10-3/h4,10-11H,1,5-8H2,2-3H3/b12-9+
InChIKeyGIELSMYRAVDYDI-FMIVXFBMSA-N
XLogP0.44
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(but-3-en-2-ylideneamino)ethyl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[2-(but-3-en-2-ylideneamino)ethyl]-N-methylethane-1,2-diamine (CID 134485867) is N'-[2-(but-3-en-2-ylideneamino)ethyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(but-3-en-2-ylideneamino)ethyl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[2-(but-3-en-2-ylideneamino)ethyl]-N-methylethane-1,2-diamine is C=C/C(C)=N/CCNCCNC.
What is the InChIKey of N'-[2-(but-3-en-2-ylideneamino)ethyl]-N-methylethane-1,2-diamine?
The InChIKey is GIELSMYRAVDYDI-FMIVXFBMSA-N. The full InChI is InChI=1S/C9H19N3/c1-4-9(2)12-8-7-11-6-5-10-3/h4,10-11H,1,5-8H2,2-3H3/b12-9+.
What are the key properties of N'-[2-(but-3-en-2-ylideneamino)ethyl]-N-methylethane-1,2-diamine?
N'-[2-(but-3-en-2-ylideneamino)ethyl]-N-methylethane-1,2-diamine has a molecular weight of 169.27 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(but-3-en-2-ylideneamino)ethyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 134485867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).