N,N'-dimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine

C9H17N3 — CID 143834919

IUPACN,N'-dimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine
SMILESC=C/C=N\C(=C)N(C)CCNC
InChIInChI=1S/C9H17N3/c1-5-6-11-9(2)12(4)8-7-10-3/h5-6,10H,1-2,7-8H2,3-4H3/b11-6-
InChIKeyUQFFGFIKPYMBEU-WDZFZDKYSA-N
MW167.26 g/mol
LogP0.87
Rot. Bonds6

About N,N'-dimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine

N,N'-dimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine (PubChem CID 143834919) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine
PubChem CID143834919
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN,N'-dimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine
SMILESC=C/C=N\C(=C)N(C)CCNC
InChIInChI=1S/C9H17N3/c1-5-6-11-9(2)12(4)8-7-10-3/h5-6,10H,1-2,7-8H2,3-4H3/b11-6-
InChIKeyUQFFGFIKPYMBEU-WDZFZDKYSA-N
XLogP0.87
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2H-pyrimidin-1-yl)ethanamine
CID 22639610
(Z)-3-(1-piperazin-1-ylethenylimino)prop-1-en-1-amine
CID 70259653
(E)-2-(prop-2-enylideneamino)-1-N'-propylethene-1,1-diamine
CID 89205393
1,2-Dihydropyrimidin-2-ylmethanamine
CID 118177714
2-[1,2-Bis(methylamino)ethyl]-1-ethenyl-3-prop-2-enylideneguanidine
CID 123660723
2-N-[(Z)-3-ethyliminoprop-1-enyl]-2-N-methylaziridine-2,3-diamine
CID 126538603
N,N-dimethyl-1-(6-methyl-1,2-dihydropyrimidin-2-yl)methanamine
CID 142082955
ethane;(Z)-N-[(1Z)-1-piperazin-1-ylbuta-1,3-dienyl]ethanimine
CID 142180476
N,N'-dimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine
CID 143011684
(Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine
CID 143325176
ethane;(Z)-N-[(Z)-1-piperazin-1-ylprop-1-enyl]ethanimine
CID 143703268
N,N,N'-trimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine
CID 143795994

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine (CID 143834919) is N,N'-dimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine is C=C/C=N\C(=C)N(C)CCNC.
What is the InChIKey of N,N'-dimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine?
The InChIKey is UQFFGFIKPYMBEU-WDZFZDKYSA-N. The full InChI is InChI=1S/C9H17N3/c1-5-6-11-9(2)12(4)8-7-10-3/h5-6,10H,1-2,7-8H2,3-4H3/b11-6-.
What are the key properties of N,N'-dimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine has a molecular weight of 167.26 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine is sourced from PubChem (CID 143834919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).