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

C11H20N2 — CID 130281303

IUPAC2-N'-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,2-N'-dimethylpropane-2,2-diamine
SMILESC=C/C=C\C(=C)N(C)C(C)(C)NC
InChIInChI=1S/C11H20N2/c1-7-8-9-10(2)13(6)11(3,4)12-5/h7-9,12H,1-2H2,3-6H3/b9-8-
InChIKeyNQSWSBNCHCMEKA-HJWRWDBZSA-N
MW180.29 g/mol
LogP2.13
Rot. Bonds5

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

2-N'-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,2-N'-dimethylpropane-2,2-diamine (PubChem CID 130281303) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-N'-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,2-N'-dimethylpropane-2,2-diamine.

Molecular Properties

Compound Name2-N'-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,2-N'-dimethylpropane-2,2-diamine
PubChem CID130281303
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-N'-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,2-N'-dimethylpropane-2,2-diamine
SMILESC=C/C=C\C(=C)N(C)C(C)(C)NC
InChIInChI=1S/C11H20N2/c1-7-8-9-10(2)13(6)11(3,4)12-5/h7-9,12H,1-2H2,3-6H3/b9-8-
InChIKeyNQSWSBNCHCMEKA-HJWRWDBZSA-N
XLogP2.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N'-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,2-N'-dimethylpropane-2,2-diamine?
The IUPAC name of 2-N'-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,2-N'-dimethylpropane-2,2-diamine (CID 130281303) is 2-N'-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,2-N'-dimethylpropane-2,2-diamine.
What is the SMILES notation for 2-N'-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,2-N'-dimethylpropane-2,2-diamine?
The canonical SMILES for 2-N'-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,2-N'-dimethylpropane-2,2-diamine is C=C/C=C\C(=C)N(C)C(C)(C)NC.
What is the InChIKey of 2-N'-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,2-N'-dimethylpropane-2,2-diamine?
The InChIKey is NQSWSBNCHCMEKA-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H20N2/c1-7-8-9-10(2)13(6)11(3,4)12-5/h7-9,12H,1-2H2,3-6H3/b9-8-.
What are the key properties of 2-N'-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,2-N'-dimethylpropane-2,2-diamine?
2-N'-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,2-N'-dimethylpropane-2,2-diamine has a molecular weight of 180.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-[(3Z)-hexa-1,3,5-trien-2-yl]-2-N,2-N'-dimethylpropane-2,2-diamine is sourced from PubChem (CID 130281303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).