N'-[(3Z)-hexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine

C10H18N2 — CID 130296023

IUPACN'-[(3Z)-hexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
SMILESC=C/C=C\C(=C)N(C)CCNC
InChIInChI=1S/C10H18N2/c1-5-6-7-10(2)12(4)9-8-11-3/h5-7,11H,1-2,8-9H2,3-4H3/b7-6-
InChIKeyXREIZAPMDIUWDI-SREVYHEPSA-N
MW166.27 g/mol
LogP1.39
Rot. Bonds6

About N'-[(3Z)-hexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine

N'-[(3Z)-hexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 130296023) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N'-[(3Z)-hexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3Z)-hexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
PubChem CID130296023
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN'-[(3Z)-hexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
SMILESC=C/C=C\C(=C)N(C)CCNC
InChIInChI=1S/C10H18N2/c1-5-6-7-10(2)12(4)9-8-11-3/h5-7,11H,1-2,8-9H2,3-4H3/b7-6-
InChIKeyXREIZAPMDIUWDI-SREVYHEPSA-N
XLogP1.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.39
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'-[(3Z)-hexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(3Z)-hexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine (CID 130296023) is N'-[(3Z)-hexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(3Z)-hexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(3Z)-hexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine is C=C/C=C\C(=C)N(C)CCNC.
What is the InChIKey of N'-[(3Z)-hexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is XREIZAPMDIUWDI-SREVYHEPSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-6-7-10(2)12(4)9-8-11-3/h5-7,11H,1-2,8-9H2,3-4H3/b7-6-.
What are the key properties of N'-[(3Z)-hexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine?
N'-[(3Z)-hexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 166.27 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z)-hexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 130296023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).