N'-hexa-2,4-dien-2-yl-N,N'-dimethylethane-1,2-diamine

C10H20N2 — CID 90908969

IUPACN'-hexa-2,4-dien-2-yl-N,N'-dimethylethane-1,2-diamine
SMILESCC=CC=C(C)N(C)CCNC
InChIInChI=1S/C10H20N2/c1-5-6-7-10(2)12(4)9-8-11-3/h5-7,11H,8-9H2,1-4H3
InChIKeyYFZOHUJFVFRUEW-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.62
Rot. Bonds5

About N'-hexa-2,4-dien-2-yl-N,N'-dimethylethane-1,2-diamine

N'-hexa-2,4-dien-2-yl-N,N'-dimethylethane-1,2-diamine (PubChem CID 90908969) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N'-hexa-2,4-dien-2-yl-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-hexa-2,4-dien-2-yl-N,N'-dimethylethane-1,2-diamine
PubChem CID90908969
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN'-hexa-2,4-dien-2-yl-N,N'-dimethylethane-1,2-diamine
SMILESCC=CC=C(C)N(C)CCNC
InChIInChI=1S/C10H20N2/c1-5-6-7-10(2)12(4)9-8-11-3/h5-7,11H,8-9H2,1-4H3
InChIKeyYFZOHUJFVFRUEW-UHFFFAOYSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.62
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'-hexa-2,4-dien-2-yl-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-hexa-2,4-dien-2-yl-N,N'-dimethylethane-1,2-diamine (CID 90908969) is N'-hexa-2,4-dien-2-yl-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-hexa-2,4-dien-2-yl-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-hexa-2,4-dien-2-yl-N,N'-dimethylethane-1,2-diamine is CC=CC=C(C)N(C)CCNC.
What is the InChIKey of N'-hexa-2,4-dien-2-yl-N,N'-dimethylethane-1,2-diamine?
The InChIKey is YFZOHUJFVFRUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-6-7-10(2)12(4)9-8-11-3/h5-7,11H,8-9H2,1-4H3.
What are the key properties of N'-hexa-2,4-dien-2-yl-N,N'-dimethylethane-1,2-diamine?
N'-hexa-2,4-dien-2-yl-N,N'-dimethylethane-1,2-diamine has a molecular weight of 168.28 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hexa-2,4-dien-2-yl-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 90908969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).