(Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine

C9H19N3O — CID 166874136

IUPAC(Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine
SMILESC/C=N\N/C=C(/C)N(C)C(C)OC
InChIInChI=1S/C9H19N3O/c1-6-10-11-7-8(2)12(4)9(3)13-5/h6-7,9,11H,1-5H3/b8-7-,10-6-
InChIKeyLYXITWZFNNEJTK-OYIUBJQVSA-N
MW185.27 g/mol
LogP1.37
Rot. Bonds5

About (Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine

(Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine (PubChem CID 166874136) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is (Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine
PubChem CID166874136
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name(Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine
SMILESC/C=N\N/C=C(/C)N(C)C(C)OC
InChIInChI=1S/C9H19N3O/c1-6-10-11-7-8(2)12(4)9(3)13-5/h6-7,9,11H,1-5H3/b8-7-,10-6-
InChIKeyLYXITWZFNNEJTK-OYIUBJQVSA-N
XLogP1.37
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-chloro-N-ethoxy-N'-[(Z)-ethylideneamino]-N-methylethene-1,2-diamine
CID 155456681
1-(1-methoxyethyl)-1,3-dimethyl-3-[(E)-prop-1-enyl]urea
CID 155460362
(1S)-1-methoxy-N,N-dimethylethanamine
CID 89341126
(1Z)-N-[(E)-ethylideneamino]buta-1,3-dien-1-amine
CID 156545040
(2R)-N-[(E)-but-2-en-2-yl]-N-methyl-3-methylidenepent-4-en-2-amine
CID 137457731
(Z)-1-(3,5-dichlorophenyl)-1-N-[(Z)-ethylideneamino]-2-N-methoxy-2-N-methylprop-1-ene-1,2-diamine
CID 166874134
N-but-3-en-2-yl-N-methylbut-2-en-2-amine
CID 90727153
methyl (Z)-2,3-dimethylpent-3-enoate
CID 134940363
4-methoxy-3-methylpent-2-enenitrile
CID 104865205
methyl (2R,3S)-2-[acetyl(methyl)amino]-3-methoxypent-4-enoate
CID 50900286
(Z)-N-[(Z)-ethylideneamino]-N-methylbut-2-en-2-amine
CID 143601862
methyl 3-[but-2-enyl(methyl)amino]-2-methylpropanoate
CID 76886619

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine?
The IUPAC name of (Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine (CID 166874136) is (Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine is C/C=N\N/C=C(/C)N(C)C(C)OC.
What is the InChIKey of (Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine?
The InChIKey is LYXITWZFNNEJTK-OYIUBJQVSA-N. The full InChI is InChI=1S/C9H19N3O/c1-6-10-11-7-8(2)12(4)9(3)13-5/h6-7,9,11H,1-5H3/b8-7-,10-6-.
What are the key properties of (Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine?
(Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine has a molecular weight of 185.27 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine is sourced from PubChem (CID 166874136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).