(5E)-6-methoxy-1-N,1-N,3-trimethyl-4-methylideneocta-5,7-diene-1,7-diamine

C13H24N2O — CID 155721839

IUPAC(5E)-6-methoxy-1-N,1-N,3-trimethyl-4-methylideneocta-5,7-diene-1,7-diamine
SMILESC=C(N)/C(=C\C(=C)C(C)CCN(C)C)OC
InChIInChI=1S/C13H24N2O/c1-10(7-8-15(4)5)11(2)9-13(16-6)12(3)14/h9-10H,2-3,7-8,14H2,1,4-6H3/b13-9+
InChIKeyVYORYAVVELYQBX-UKTHLTGXSA-N
MW224.35 g/mol
LogP2.13
Rot. Bonds7

About (5E)-6-methoxy-1-N,1-N,3-trimethyl-4-methylideneocta-5,7-diene-1,7-diamine

(5E)-6-methoxy-1-N,1-N,3-trimethyl-4-methylideneocta-5,7-diene-1,7-diamine (PubChem CID 155721839) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (5E)-6-methoxy-1-N,1-N,3-trimethyl-4-methylideneocta-5,7-diene-1,7-diamine.

Molecular Properties

Compound Name(5E)-6-methoxy-1-N,1-N,3-trimethyl-4-methylideneocta-5,7-diene-1,7-diamine
PubChem CID155721839
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(5E)-6-methoxy-1-N,1-N,3-trimethyl-4-methylideneocta-5,7-diene-1,7-diamine
SMILESC=C(N)/C(=C\C(=C)C(C)CCN(C)C)OC
InChIInChI=1S/C13H24N2O/c1-10(7-8-15(4)5)11(2)9-13(16-6)12(3)14/h9-10H,2-3,7-8,14H2,1,4-6H3/b13-9+
InChIKeyVYORYAVVELYQBX-UKTHLTGXSA-N
XLogP2.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(5Z)-N,N,3-trimethyl-4-methylidene-7-(trifluoromethoxy)octa-5,7-dien-1-amine
CID 145278538
(3E)-5-fluoro-3-methoxyhexa-1,3,5-trien-2-amine
CID 146382961
4-(dimethylamino)-2-methylbutanamide;hydrochloride
CID 143130107
methyl 2-[2-(dimethylamino)ethyl]penta-3,4-dienoate
CID 134470243
methyl 4-(dimethylamino)-2-(propylamino)butanoate
CID 63027229
1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide
CID 173333881
1-N,1-N,5-N-trimethylhept-6-ene-1,5,6-triamine
CID 166898967
3-N-but-3-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine
CID 104864569
1-N,1-N,3-trimethyl-4-N-phenylpent-4-ene-1,4-diamine
CID 143530136
ethyl 4-(dimethylamino)-2-(ethylamino)butanoate
CID 63028800
4-[3-(dimethylamino)propyl-methylamino]-2-(propan-2-ylamino)butanamide
CID 63699813
ethane;3-methoxy-N,N-dimethylbutan-1-amine
CID 144600046

Frequently Asked Questions

What is the IUPAC name of (5E)-6-methoxy-1-N,1-N,3-trimethyl-4-methylideneocta-5,7-diene-1,7-diamine?
The IUPAC name of (5E)-6-methoxy-1-N,1-N,3-trimethyl-4-methylideneocta-5,7-diene-1,7-diamine (CID 155721839) is (5E)-6-methoxy-1-N,1-N,3-trimethyl-4-methylideneocta-5,7-diene-1,7-diamine.
What is the SMILES notation for (5E)-6-methoxy-1-N,1-N,3-trimethyl-4-methylideneocta-5,7-diene-1,7-diamine?
The canonical SMILES for (5E)-6-methoxy-1-N,1-N,3-trimethyl-4-methylideneocta-5,7-diene-1,7-diamine is C=C(N)/C(=C\C(=C)C(C)CCN(C)C)OC.
What is the InChIKey of (5E)-6-methoxy-1-N,1-N,3-trimethyl-4-methylideneocta-5,7-diene-1,7-diamine?
The InChIKey is VYORYAVVELYQBX-UKTHLTGXSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(7-8-15(4)5)11(2)9-13(16-6)12(3)14/h9-10H,2-3,7-8,14H2,1,4-6H3/b13-9+.
What are the key properties of (5E)-6-methoxy-1-N,1-N,3-trimethyl-4-methylideneocta-5,7-diene-1,7-diamine?
(5E)-6-methoxy-1-N,1-N,3-trimethyl-4-methylideneocta-5,7-diene-1,7-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6-methoxy-1-N,1-N,3-trimethyl-4-methylideneocta-5,7-diene-1,7-diamine is sourced from PubChem (CID 155721839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).