(2E,4E)-5-N-(2-methoxyethyl)-5-N-methylhexa-2,4-diene-2,5-diamine

C10H20N2O — CID 129061385

IUPAC(2E,4E)-5-N-(2-methoxyethyl)-5-N-methylhexa-2,4-diene-2,5-diamine
SMILESCOCCN(C)/C(C)=C/C=C(\C)N
InChIInChI=1S/C10H20N2O/c1-9(11)5-6-10(2)12(3)7-8-13-4/h5-6H,7-8,11H2,1-4H3/b9-5+,10-6+
InChIKeyUWRRDMQTRPMHDO-NXZHAISVSA-N
MW184.28 g/mol
LogP1.33
Rot. Bonds5

About (2E,4E)-5-N-(2-methoxyethyl)-5-N-methylhexa-2,4-diene-2,5-diamine

(2E,4E)-5-N-(2-methoxyethyl)-5-N-methylhexa-2,4-diene-2,5-diamine (PubChem CID 129061385) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (2E,4E)-5-N-(2-methoxyethyl)-5-N-methylhexa-2,4-diene-2,5-diamine.

Molecular Properties

Compound Name(2E,4E)-5-N-(2-methoxyethyl)-5-N-methylhexa-2,4-diene-2,5-diamine
PubChem CID129061385
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(2E,4E)-5-N-(2-methoxyethyl)-5-N-methylhexa-2,4-diene-2,5-diamine
SMILESCOCCN(C)/C(C)=C/C=C(\C)N
InChIInChI=1S/C10H20N2O/c1-9(11)5-6-10(2)12(3)7-8-13-4/h5-6H,7-8,11H2,1-4H3/b9-5+,10-6+
InChIKeyUWRRDMQTRPMHDO-NXZHAISVSA-N
XLogP1.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 134406202
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CID 130458447
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CID 173078438
3-amino-N-(2-methoxyethyl)-N,3-dimethylbutanamide
CID 64676750
N-butyl-N-methylacetamide;ethane;N-(2-methoxyethyl)-N-methylacetamide
CID 142151039
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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-N-(2-methoxyethyl)-5-N-methylhexa-2,4-diene-2,5-diamine?
The IUPAC name of (2E,4E)-5-N-(2-methoxyethyl)-5-N-methylhexa-2,4-diene-2,5-diamine (CID 129061385) is (2E,4E)-5-N-(2-methoxyethyl)-5-N-methylhexa-2,4-diene-2,5-diamine.
What is the SMILES notation for (2E,4E)-5-N-(2-methoxyethyl)-5-N-methylhexa-2,4-diene-2,5-diamine?
The canonical SMILES for (2E,4E)-5-N-(2-methoxyethyl)-5-N-methylhexa-2,4-diene-2,5-diamine is COCCN(C)/C(C)=C/C=C(\C)N.
What is the InChIKey of (2E,4E)-5-N-(2-methoxyethyl)-5-N-methylhexa-2,4-diene-2,5-diamine?
The InChIKey is UWRRDMQTRPMHDO-NXZHAISVSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(11)5-6-10(2)12(3)7-8-13-4/h5-6H,7-8,11H2,1-4H3/b9-5+,10-6+.
What are the key properties of (2E,4E)-5-N-(2-methoxyethyl)-5-N-methylhexa-2,4-diene-2,5-diamine?
(2E,4E)-5-N-(2-methoxyethyl)-5-N-methylhexa-2,4-diene-2,5-diamine has a molecular weight of 184.28 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-N-(2-methoxyethyl)-5-N-methylhexa-2,4-diene-2,5-diamine is sourced from PubChem (CID 129061385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).