N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]-N',N'-diethylethane-1,2-diamine

C14H24N2 — CID 130370752

IUPACN-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]-N',N'-diethylethane-1,2-diamine
SMILESC=C/C=C(\C=C)C(=C)NCCN(CC)CC
InChIInChI=1S/C14H24N2/c1-6-10-14(7-2)13(5)15-11-12-16(8-3)9-4/h6-7,10,15H,1-2,5,8-9,11-12H2,3-4H3/b14-10+
InChIKeyHDXZWLILDDRLEI-GXDHUFHOSA-N
MW220.36 g/mol
LogP2.73
Rot. Bonds9

About N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]-N',N'-diethylethane-1,2-diamine

N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]-N',N'-diethylethane-1,2-diamine (PubChem CID 130370752) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]-N',N'-diethylethane-1,2-diamine
PubChem CID130370752
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]-N',N'-diethylethane-1,2-diamine
SMILESC=C/C=C(\C=C)C(=C)NCCN(CC)CC
InChIInChI=1S/C14H24N2/c1-6-10-14(7-2)13(5)15-11-12-16(8-3)9-4/h6-7,10,15H,1-2,5,8-9,11-12H2,3-4H3/b14-10+
InChIKeyHDXZWLILDDRLEI-GXDHUFHOSA-N
XLogP2.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]-N',N'-diethylethane-1,2-diamine (CID 130370752) is N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]-N',N'-diethylethane-1,2-diamine is C=C/C=C(\C=C)C(=C)NCCN(CC)CC.
What is the InChIKey of N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is HDXZWLILDDRLEI-GXDHUFHOSA-N. The full InChI is InChI=1S/C14H24N2/c1-6-10-14(7-2)13(5)15-11-12-16(8-3)9-4/h6-7,10,15H,1-2,5,8-9,11-12H2,3-4H3/b14-10+.
What are the key properties of N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]-N',N'-diethylethane-1,2-diamine?
N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 130370752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).