(E)-2-N-ethyl-2-N-(2-methoxyethyl)-1-N,1-N-dimethylprop-1-ene-1,2-diamine;2-methylprop-2-enal

C14H28N2O2 — CID 176675584

IUPAC(E)-2-N-ethyl-2-N-(2-methoxyethyl)-1-N,1-N-dimethylprop-1-ene-1,2-diamine;2-methylprop-2-enal
SMILESC=C(C)C=O.CCN(CCOC)/C(C)=C/N(C)C
InChIInChI=1S/C10H22N2O.C4H6O/c1-6-12(7-8-13-5)10(2)9-11(3)4;1-4(2)3-5/h9H,6-8H2,1-5H3;3H,1H2,2H3/b10-9+;
InChIKeyFAAZGDAWMPOUJV-RRABGKBLSA-N
MW256.39 g/mol
LogP2.14
Rot. Bonds7

About (E)-2-N-ethyl-2-N-(2-methoxyethyl)-1-N,1-N-dimethylprop-1-ene-1,2-diamine;2-methylprop-2-enal

(E)-2-N-ethyl-2-N-(2-methoxyethyl)-1-N,1-N-dimethylprop-1-ene-1,2-diamine;2-methylprop-2-enal (PubChem CID 176675584) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (E)-2-N-ethyl-2-N-(2-methoxyethyl)-1-N,1-N-dimethylprop-1-ene-1,2-diamine;2-methylprop-2-enal.

Molecular Properties

Compound Name(E)-2-N-ethyl-2-N-(2-methoxyethyl)-1-N,1-N-dimethylprop-1-ene-1,2-diamine;2-methylprop-2-enal
PubChem CID176675584
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(E)-2-N-ethyl-2-N-(2-methoxyethyl)-1-N,1-N-dimethylprop-1-ene-1,2-diamine;2-methylprop-2-enal
SMILESC=C(C)C=O.CCN(CCOC)/C(C)=C/N(C)C
InChIInChI=1S/C10H22N2O.C4H6O/c1-6-12(7-8-13-5)10(2)9-11(3)4;1-4(2)3-5/h9H,6-8H2,1-5H3;3H,1H2,2H3/b10-9+;
InChIKeyFAAZGDAWMPOUJV-RRABGKBLSA-N
XLogP2.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (E)-2-N-ethyl-2-N-(2-methoxyethyl)-1-N,1-N-dimethylprop-1-ene-1,2-diamine;2-methylprop-2-enal?
The IUPAC name of (E)-2-N-ethyl-2-N-(2-methoxyethyl)-1-N,1-N-dimethylprop-1-ene-1,2-diamine;2-methylprop-2-enal (CID 176675584) is (E)-2-N-ethyl-2-N-(2-methoxyethyl)-1-N,1-N-dimethylprop-1-ene-1,2-diamine;2-methylprop-2-enal.
What is the SMILES notation for (E)-2-N-ethyl-2-N-(2-methoxyethyl)-1-N,1-N-dimethylprop-1-ene-1,2-diamine;2-methylprop-2-enal?
The canonical SMILES for (E)-2-N-ethyl-2-N-(2-methoxyethyl)-1-N,1-N-dimethylprop-1-ene-1,2-diamine;2-methylprop-2-enal is C=C(C)C=O.CCN(CCOC)/C(C)=C/N(C)C.
What is the InChIKey of (E)-2-N-ethyl-2-N-(2-methoxyethyl)-1-N,1-N-dimethylprop-1-ene-1,2-diamine;2-methylprop-2-enal?
The InChIKey is FAAZGDAWMPOUJV-RRABGKBLSA-N. The full InChI is InChI=1S/C10H22N2O.C4H6O/c1-6-12(7-8-13-5)10(2)9-11(3)4;1-4(2)3-5/h9H,6-8H2,1-5H3;3H,1H2,2H3/b10-9+;.
What are the key properties of (E)-2-N-ethyl-2-N-(2-methoxyethyl)-1-N,1-N-dimethylprop-1-ene-1,2-diamine;2-methylprop-2-enal?
(E)-2-N-ethyl-2-N-(2-methoxyethyl)-1-N,1-N-dimethylprop-1-ene-1,2-diamine;2-methylprop-2-enal has a molecular weight of 256.39 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-N-ethyl-2-N-(2-methoxyethyl)-1-N,1-N-dimethylprop-1-ene-1,2-diamine;2-methylprop-2-enal is sourced from PubChem (CID 176675584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).