1-N'-[(3E,5Z)-3-ethoxyhepta-3,5-dien-2-yl]ethene-1,1-diamine

C11H20N2O — CID 143829892

IUPAC1-N'-[(3E,5Z)-3-ethoxyhepta-3,5-dien-2-yl]ethene-1,1-diamine
SMILESC=C(N)NC(C)/C(=C\C=C/C)OCC
InChIInChI=1S/C11H20N2O/c1-5-7-8-11(14-6-2)9(3)13-10(4)12/h5,7-9,13H,4,6,12H2,1-3H3/b7-5-,11-8+
InChIKeyNFBSNICIPWLBKW-UKJSTWFMSA-N
MW196.29 g/mol
LogP1.89
Rot. Bonds6

About 1-N'-[(3E,5Z)-3-ethoxyhepta-3,5-dien-2-yl]ethene-1,1-diamine

1-N'-[(3E,5Z)-3-ethoxyhepta-3,5-dien-2-yl]ethene-1,1-diamine (PubChem CID 143829892) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-N'-[(3E,5Z)-3-ethoxyhepta-3,5-dien-2-yl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[(3E,5Z)-3-ethoxyhepta-3,5-dien-2-yl]ethene-1,1-diamine
PubChem CID143829892
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-N'-[(3E,5Z)-3-ethoxyhepta-3,5-dien-2-yl]ethene-1,1-diamine
SMILESC=C(N)NC(C)/C(=C\C=C/C)OCC
InChIInChI=1S/C11H20N2O/c1-5-7-8-11(14-6-2)9(3)13-10(4)12/h5,7-9,13H,4,6,12H2,1-3H3/b7-5-,11-8+
InChIKeyNFBSNICIPWLBKW-UKJSTWFMSA-N
XLogP1.89
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
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

2-methyl-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-amine
CID 129216591
6-Ethenyl-3-ethoxy-2-methyl-1,2-dihydropyridine
CID 70281155
3-Ethoxy-2-methyl-1,2-dihydropyridine
CID 141774489
(3Z,6Z)-deca-1,3,6-triene;(2S)-3-ethoxy-N-methylbut-3-en-2-amine
CID 143334986
1-N'-[(3E)-4-methoxyhexa-1,3-dien-2-yl]ethane-1,1-diamine
CID 146336569
(3E)-3-[(2E)-1-aminopenta-2,4-dien-2-yl]oxy-N-methylhexa-3,5-dien-2-amine
CID 167226368
2-Ethyl-3-propoxy-1,2-dihydropyridine
CID 173058048
2-Methyl-3-propoxy-1,2-dihydropyridine
CID 173058092
2-Methyl-3-propan-2-yloxy-1,2-dihydropyridine
CID 173058164
3-Methoxy-2-methyl-1,2-dihydropyridin-6-amine
CID 86340861
(2Z,4Z)-5-[2-(dimethylamino)ethoxy]hepta-2,4-dien-4-amine
CID 143245749

Frequently Asked Questions

What is the IUPAC name of 1-N'-[(3E,5Z)-3-ethoxyhepta-3,5-dien-2-yl]ethene-1,1-diamine?
The IUPAC name of 1-N'-[(3E,5Z)-3-ethoxyhepta-3,5-dien-2-yl]ethene-1,1-diamine (CID 143829892) is 1-N'-[(3E,5Z)-3-ethoxyhepta-3,5-dien-2-yl]ethene-1,1-diamine.
What is the SMILES notation for 1-N'-[(3E,5Z)-3-ethoxyhepta-3,5-dien-2-yl]ethene-1,1-diamine?
The canonical SMILES for 1-N'-[(3E,5Z)-3-ethoxyhepta-3,5-dien-2-yl]ethene-1,1-diamine is C=C(N)NC(C)/C(=C\C=C/C)OCC.
What is the InChIKey of 1-N'-[(3E,5Z)-3-ethoxyhepta-3,5-dien-2-yl]ethene-1,1-diamine?
The InChIKey is NFBSNICIPWLBKW-UKJSTWFMSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-7-8-11(14-6-2)9(3)13-10(4)12/h5,7-9,13H,4,6,12H2,1-3H3/b7-5-,11-8+.
What are the key properties of 1-N'-[(3E,5Z)-3-ethoxyhepta-3,5-dien-2-yl]ethene-1,1-diamine?
1-N'-[(3E,5Z)-3-ethoxyhepta-3,5-dien-2-yl]ethene-1,1-diamine has a molecular weight of 196.29 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(3E,5Z)-3-ethoxyhepta-3,5-dien-2-yl]ethene-1,1-diamine is sourced from PubChem (CID 143829892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).