N'-ethyl-N'-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]-N,N-dimethylethane-1,2-diamine

C15H28N2 — CID 130183526

IUPACN'-ethyl-N'-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]-N,N-dimethylethane-1,2-diamine
SMILESC=CC/C=C\C(=C/C)CN(CC)CCN(C)C
InChIInChI=1S/C15H28N2/c1-6-9-10-11-15(7-2)14-17(8-3)13-12-16(4)5/h6-7,10-11H,1,8-9,12-14H2,2-5H3/b11-10-,15-7+
InChIKeyDFJLCSTZYMAWOG-LVDYVNFFSA-N
MW236.40 g/mol
LogP2.95
Rot. Bonds9

About N'-ethyl-N'-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]-N,N-dimethylethane-1,2-diamine

N'-ethyl-N'-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 130183526) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N'-ethyl-N'-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]-N,N-dimethylethane-1,2-diamine
PubChem CID130183526
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN'-ethyl-N'-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]-N,N-dimethylethane-1,2-diamine
SMILESC=CC/C=C\C(=C/C)CN(CC)CCN(C)C
InChIInChI=1S/C15H28N2/c1-6-9-10-11-15(7-2)14-17(8-3)13-12-16(4)5/h6-7,10-11H,1,8-9,12-14H2,2-5H3/b11-10-,15-7+
InChIKeyDFJLCSTZYMAWOG-LVDYVNFFSA-N
XLogP2.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,3Z)-N-ethyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine;propane
CID 144845989
N',N'-diethyl-N,N-dimethylethane-1,2-diamine;ethane
CID 143296680
ethane;(4Z,6E)-6-ethylnona-1,4,6-triene
CID 143827979
ethane;(E)-2-ethenyl-N-ethyl-N-(2-methoxyethyl)but-2-en-1-amine
CID 143677797
(Z,2E)-N-ethyl-2-ethylidene-N-(2-methylpropyl)pent-3-en-1-amine
CID 146568641
2-[2-(dimethylamino)ethyl-ethylamino]-N'-hydroxyethanimidamide
CID 76929176
(4Z,6Z)-6-ethyl-8-methylidenedeca-1,4,6-triene
CID 144773854
(2E,3Z)-N-butyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine
CID 164862462
ethane;N-ethyl-N-prop-2-enylprop-2-en-1-amine
CID 143235100
(Z,2E)-N-ethyl-N-(2-ethylbutyl)-2-ethylidenepent-3-en-1-amine
CID 178156777
N,N-dimethylpent-4-en-1-amine;ethane
CID 155570199
(Z,2E)-2-ethylidene-N,N-dimethylpent-3-en-1-amine
CID 156713234

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]-N,N-dimethylethane-1,2-diamine (CID 130183526) is N'-ethyl-N'-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]-N,N-dimethylethane-1,2-diamine is C=CC/C=C\C(=C/C)CN(CC)CCN(C)C.
What is the InChIKey of N'-ethyl-N'-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is DFJLCSTZYMAWOG-LVDYVNFFSA-N. The full InChI is InChI=1S/C15H28N2/c1-6-9-10-11-15(7-2)14-17(8-3)13-12-16(4)5/h6-7,10-11H,1,8-9,12-14H2,2-5H3/b11-10-,15-7+.
What are the key properties of N'-ethyl-N'-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]-N,N-dimethylethane-1,2-diamine?
N'-ethyl-N'-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 236.40 g/mol, XLogP of 2.95, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 130183526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).