N-[1-[[(Z)-but-2-enylidene]amino]ethenyl]-N',N'-dimethylmethanediamine

C9H17N3 — CID 174028770

IUPACN-[1-[[(Z)-but-2-enylidene]amino]ethenyl]-N',N'-dimethylmethanediamine
SMILESC=C(N=C/C=C\C)NCN(C)C
InChIInChI=1S/C9H17N3/c1-5-6-7-10-9(2)11-8-12(3)4/h5-7,11H,2,8H2,1,3-4H3/b6-5-,10-7?
InChIKeyLOUAUOUUHQHASM-WONFBAJKSA-N
MW167.26 g/mol
LogP1.21
Rot. Bonds5

About N-[1-[[(Z)-but-2-enylidene]amino]ethenyl]-N',N'-dimethylmethanediamine

N-[1-[[(Z)-but-2-enylidene]amino]ethenyl]-N',N'-dimethylmethanediamine (PubChem CID 174028770) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-[1-[[(Z)-but-2-enylidene]amino]ethenyl]-N',N'-dimethylmethanediamine.

Molecular Properties

Compound NameN-[1-[[(Z)-but-2-enylidene]amino]ethenyl]-N',N'-dimethylmethanediamine
PubChem CID174028770
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-[1-[[(Z)-but-2-enylidene]amino]ethenyl]-N',N'-dimethylmethanediamine
SMILESC=C(N=C/C=C\C)NCN(C)C
InChIInChI=1S/C9H17N3/c1-5-6-7-10-9(2)11-8-12(3)4/h5-7,11H,2,8H2,1,3-4H3/b6-5-,10-7?
InChIKeyLOUAUOUUHQHASM-WONFBAJKSA-N
XLogP1.21
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-[(Z)-but-2-enylidene]amino]ethenol
CID 143375419
1-[(Z)-[(Z)-but-2-enylidene]amino]ethenamine
CID 90382047
N-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]aniline
CID 118971104
(E)-N-but-1-en-2-ylbut-2-en-1-imine
CID 123147559
(Z)-3-[1-(2,2-dimethylhydrazinyl)ethenylimino]prop-1-en-1-amine
CID 174090838
1-[(E)-[(E)-but-2-enylidene]amino]ethenyl-cyanocyanamide
CID 139911972
(Z)-N-(3-methylpent-1-en-2-yl)but-2-en-1-imine
CID 135298540
N-[(Z)-[(E)-but-2-enylidene]amino]-N-methylmethanamine
CID 5370316
(2Z,4Z)-N-[(E)-but-2-en-2-yl]hexa-2,4-dien-1-imine
CID 139386101
(Z)-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine
CID 144810158
(E)-2-[[(Z)-but-2-enylidene]amino]-N-methylpent-2-en-1-amine
CID 166976303
(Z)-2-[[(Z)-but-2-enylidene]amino]-N,N-dimethylethenamine
CID 167113883

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(Z)-but-2-enylidene]amino]ethenyl]-N',N'-dimethylmethanediamine?
The IUPAC name of N-[1-[[(Z)-but-2-enylidene]amino]ethenyl]-N',N'-dimethylmethanediamine (CID 174028770) is N-[1-[[(Z)-but-2-enylidene]amino]ethenyl]-N',N'-dimethylmethanediamine.
What is the SMILES notation for N-[1-[[(Z)-but-2-enylidene]amino]ethenyl]-N',N'-dimethylmethanediamine?
The canonical SMILES for N-[1-[[(Z)-but-2-enylidene]amino]ethenyl]-N',N'-dimethylmethanediamine is C=C(N=C/C=C\C)NCN(C)C.
What is the InChIKey of N-[1-[[(Z)-but-2-enylidene]amino]ethenyl]-N',N'-dimethylmethanediamine?
The InChIKey is LOUAUOUUHQHASM-WONFBAJKSA-N. The full InChI is InChI=1S/C9H17N3/c1-5-6-7-10-9(2)11-8-12(3)4/h5-7,11H,2,8H2,1,3-4H3/b6-5-,10-7?.
What are the key properties of N-[1-[[(Z)-but-2-enylidene]amino]ethenyl]-N',N'-dimethylmethanediamine?
N-[1-[[(Z)-but-2-enylidene]amino]ethenyl]-N',N'-dimethylmethanediamine has a molecular weight of 167.26 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(Z)-but-2-enylidene]amino]ethenyl]-N',N'-dimethylmethanediamine is sourced from PubChem (CID 174028770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).