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

C10H18N2 — CID 130281265

IUPAC1-N'-[(3Z)-hexa-1,3,5-trien-2-yl]-1-N,1-N'-dimethylethane-1,1-diamine
SMILESC=C/C=C\C(=C)N(C)C(C)NC
InChIInChI=1S/C10H18N2/c1-6-7-8-9(2)12(5)10(3)11-4/h6-8,10-11H,1-2H2,3-5H3/b8-7-
InChIKeyFPEALCHSKARDKD-FPLPWBNLSA-N
MW166.27 g/mol
LogP1.74
Rot. Bonds5

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

1-N'-[(3Z)-hexa-1,3,5-trien-2-yl]-1-N,1-N'-dimethylethane-1,1-diamine (PubChem CID 130281265) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-N'-[(3Z)-hexa-1,3,5-trien-2-yl]-1-N,1-N'-dimethylethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-[(3Z)-hexa-1,3,5-trien-2-yl]-1-N,1-N'-dimethylethane-1,1-diamine
PubChem CID130281265
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-N'-[(3Z)-hexa-1,3,5-trien-2-yl]-1-N,1-N'-dimethylethane-1,1-diamine
SMILESC=C/C=C\C(=C)N(C)C(C)NC
InChIInChI=1S/C10H18N2/c1-6-7-8-9(2)12(5)10(3)11-4/h6-8,10-11H,1-2H2,3-5H3/b8-7-
InChIKeyFPEALCHSKARDKD-FPLPWBNLSA-N
XLogP1.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.74
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 1-N'-[(3Z)-hexa-1,3,5-trien-2-yl]-1-N,1-N'-dimethylethane-1,1-diamine?
The IUPAC name of 1-N'-[(3Z)-hexa-1,3,5-trien-2-yl]-1-N,1-N'-dimethylethane-1,1-diamine (CID 130281265) is 1-N'-[(3Z)-hexa-1,3,5-trien-2-yl]-1-N,1-N'-dimethylethane-1,1-diamine.
What is the SMILES notation for 1-N'-[(3Z)-hexa-1,3,5-trien-2-yl]-1-N,1-N'-dimethylethane-1,1-diamine?
The canonical SMILES for 1-N'-[(3Z)-hexa-1,3,5-trien-2-yl]-1-N,1-N'-dimethylethane-1,1-diamine is C=C/C=C\C(=C)N(C)C(C)NC.
What is the InChIKey of 1-N'-[(3Z)-hexa-1,3,5-trien-2-yl]-1-N,1-N'-dimethylethane-1,1-diamine?
The InChIKey is FPEALCHSKARDKD-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-7-8-9(2)12(5)10(3)11-4/h6-8,10-11H,1-2H2,3-5H3/b8-7-.
What are the key properties of 1-N'-[(3Z)-hexa-1,3,5-trien-2-yl]-1-N,1-N'-dimethylethane-1,1-diamine?
1-N'-[(3Z)-hexa-1,3,5-trien-2-yl]-1-N,1-N'-dimethylethane-1,1-diamine has a molecular weight of 166.27 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(3Z)-hexa-1,3,5-trien-2-yl]-1-N,1-N'-dimethylethane-1,1-diamine is sourced from PubChem (CID 130281265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).