(E)-N'-(2-methoxyethyl)-N,N-dimethylprop-1-ene-1,3-diamine

C8H18N2O — CID 88690408

IUPAC(E)-N'-(2-methoxyethyl)-N,N-dimethylprop-1-ene-1,3-diamine
SMILESCOCCNC/C=C/N(C)C
InChIInChI=1S/C8H18N2O/c1-10(2)7-4-5-9-6-8-11-3/h4,7,9H,5-6,8H2,1-3H3/b7-4+
InChIKeyAYULJOXAQGYEEO-QPJJXVBHSA-N
MW158.24 g/mol
LogP0.30
Rot. Bonds6

About (E)-N'-(2-methoxyethyl)-N,N-dimethylprop-1-ene-1,3-diamine

(E)-N'-(2-methoxyethyl)-N,N-dimethylprop-1-ene-1,3-diamine (PubChem CID 88690408) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (E)-N'-(2-methoxyethyl)-N,N-dimethylprop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-N'-(2-methoxyethyl)-N,N-dimethylprop-1-ene-1,3-diamine
PubChem CID88690408
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(E)-N'-(2-methoxyethyl)-N,N-dimethylprop-1-ene-1,3-diamine
SMILESCOCCNC/C=C/N(C)C
InChIInChI=1S/C8H18N2O/c1-10(2)7-4-5-9-6-8-11-3/h4,7,9H,5-6,8H2,1-3H3/b7-4+
InChIKeyAYULJOXAQGYEEO-QPJJXVBHSA-N
XLogP0.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-morpholin-4-ylethyl)prop-1-en-1-amine
CID 57636132
4-methylmorpholine;N-prop-2-enylprop-2-en-1-amine
CID 68543856
3-morpholin-4-yl-N-prop-2-enylprop-2-en-1-amine
CID 88689182
(E)-N'-(2-methoxypropyl)-N,N-dimethylprop-1-ene-1,3-diamine
CID 88690426
2-[[(E)-3-(dimethylamino)prop-2-enyl]amino]ethanol
CID 88690436
N-methyl-3-morpholin-4-ylprop-1-en-1-amine
CID 89075262
(1Z,4E)-5-N-[(2R)-1-methoxypropan-2-yl]penta-1,4-diene-1,3,5-triamine
CID 90453321
(3Z,5E)-2-N-(2-methoxyethyl)hepta-1,3,5-triene-2,5-diamine
CID 122518402
(2Z)-4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine
CID 139390286
(E)-N-(2-methoxyethyl)prop-1-ene-1,3-diamine
CID 139409566
2-[[(E)-3-[bis(2-hydroxyethyl)amino]prop-1-enyl]amino]ethanol
CID 140349835
Bis(2-ethoxyethyl)-prop-2-enylazanium chloride
CID 141168351

Frequently Asked Questions

What is the IUPAC name of (E)-N'-(2-methoxyethyl)-N,N-dimethylprop-1-ene-1,3-diamine?
The IUPAC name of (E)-N'-(2-methoxyethyl)-N,N-dimethylprop-1-ene-1,3-diamine (CID 88690408) is (E)-N'-(2-methoxyethyl)-N,N-dimethylprop-1-ene-1,3-diamine.
What is the SMILES notation for (E)-N'-(2-methoxyethyl)-N,N-dimethylprop-1-ene-1,3-diamine?
The canonical SMILES for (E)-N'-(2-methoxyethyl)-N,N-dimethylprop-1-ene-1,3-diamine is COCCNC/C=C/N(C)C.
What is the InChIKey of (E)-N'-(2-methoxyethyl)-N,N-dimethylprop-1-ene-1,3-diamine?
The InChIKey is AYULJOXAQGYEEO-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H18N2O/c1-10(2)7-4-5-9-6-8-11-3/h4,7,9H,5-6,8H2,1-3H3/b7-4+.
What are the key properties of (E)-N'-(2-methoxyethyl)-N,N-dimethylprop-1-ene-1,3-diamine?
(E)-N'-(2-methoxyethyl)-N,N-dimethylprop-1-ene-1,3-diamine has a molecular weight of 158.24 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(2-methoxyethyl)-N,N-dimethylprop-1-ene-1,3-diamine is sourced from PubChem (CID 88690408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).