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

C14H31N3 — CID 143872809

IUPACethane;N,N,N'-trimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine
SMILESC=C/C=N\C(=C)N(C)CCN(C)C.CC.CC
InChIInChI=1S/C10H19N3.2C2H6/c1-6-7-11-10(2)13(5)9-8-12(3)4;2*1-2/h6-7H,1-2,8-9H2,3-5H3;2*1-2H3/b11-7-;;
InChIKeyLPDAUVTYJLEALL-FJJKMGSJSA-N
MW241.42 g/mol
LogP3.26
Rot. Bonds6

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

ethane;N,N,N'-trimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine (PubChem CID 143872809) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is ethane;N,N,N'-trimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine.

Molecular Properties

Compound Nameethane;N,N,N'-trimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine
PubChem CID143872809
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Nameethane;N,N,N'-trimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine
SMILESC=C/C=N\C(=C)N(C)CCN(C)C.CC.CC
InChIInChI=1S/C10H19N3.2C2H6/c1-6-7-11-10(2)13(5)9-8-12(3)4;2*1-2/h6-7H,1-2,8-9H2,3-5H3;2*1-2H3/b11-7-;;
InChIKeyLPDAUVTYJLEALL-FJJKMGSJSA-N
XLogP3.26
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;N,N,N'-trimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine with MolForge

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Related Compounds

1-ethyl-2H-pyrimidine
CID 22646239
N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine
CID 68309739
1,3-dipropyl-2H-pyrimidin-3-ium
CID 68982596
1,3-diethyl-2H-pyrimidin-3-ium
CID 68982778
1-ethyl-3-propyl-2H-pyrimidin-3-ium
CID 68984249
(Z)-N-[1-(4-methylpiperazin-1-yl)ethenyl]prop-2-en-1-imine
CID 88931237
N-[(E)-(1-methylpyrimidin-2-ylidene)methyl]ethanimine
CID 89329389
1,1-diethyl-2H-pyrimidin-1-ium
CID 91357247
2-Methylidene-1-propylpyrimidine
CID 123639405
(2E)-1-ethenyl-2-ethylidenepyrimidine
CID 141844959
ethane;(2E)-1-ethyl-2-ethylidenepyrimidine
CID 142838378
ethene;(Z)-1-[(Z)-ethylideneamino]-N,N-dimethylprop-1-en-1-amine
CID 143017779

Frequently Asked Questions

What is the IUPAC name of ethane;N,N,N'-trimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine?
The IUPAC name of ethane;N,N,N'-trimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine (CID 143872809) is ethane;N,N,N'-trimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine.
What is the SMILES notation for ethane;N,N,N'-trimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine?
The canonical SMILES for ethane;N,N,N'-trimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine is C=C/C=N\C(=C)N(C)CCN(C)C.CC.CC.
What is the InChIKey of ethane;N,N,N'-trimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine?
The InChIKey is LPDAUVTYJLEALL-FJJKMGSJSA-N. The full InChI is InChI=1S/C10H19N3.2C2H6/c1-6-7-11-10(2)13(5)9-8-12(3)4;2*1-2/h6-7H,1-2,8-9H2,3-5H3;2*1-2H3/b11-7-;;.
What are the key properties of ethane;N,N,N'-trimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine?
ethane;N,N,N'-trimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine has a molecular weight of 241.42 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N,N'-trimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine is sourced from PubChem (CID 143872809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).