4-N',4-N'-bis(prop-2-enyl)hepta-1,6-diene-4,4-diamine

C13H22N2 — CID 19810742

IUPAC4-N',4-N'-bis(prop-2-enyl)hepta-1,6-diene-4,4-diamine
SMILESC=CCN(CC=C)C(N)(CC=C)CC=C
InChIInChI=1S/C13H22N2/c1-5-9-13(14,10-6-2)15(11-7-3)12-8-4/h5-8H,1-4,9-12,14H2
InChIKeyXDYNIUQLIQJYNM-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.47
Rot. Bonds9

About 4-N',4-N'-bis(prop-2-enyl)hepta-1,6-diene-4,4-diamine

4-N',4-N'-bis(prop-2-enyl)hepta-1,6-diene-4,4-diamine (PubChem CID 19810742) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-N',4-N'-bis(prop-2-enyl)hepta-1,6-diene-4,4-diamine.

Molecular Properties

Compound Name4-N',4-N'-bis(prop-2-enyl)hepta-1,6-diene-4,4-diamine
PubChem CID19810742
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4-N',4-N'-bis(prop-2-enyl)hepta-1,6-diene-4,4-diamine
SMILESC=CCN(CC=C)C(N)(CC=C)CC=C
InChIInChI=1S/C13H22N2/c1-5-9-13(14,10-6-2)15(11-7-3)12-8-4/h5-8H,1-4,9-12,14H2
InChIKeyXDYNIUQLIQJYNM-UHFFFAOYSA-N
XLogP2.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.47
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N',4-N'-bis(prop-2-enyl)hepta-1,6-diene-4,4-diamine?
The IUPAC name of 4-N',4-N'-bis(prop-2-enyl)hepta-1,6-diene-4,4-diamine (CID 19810742) is 4-N',4-N'-bis(prop-2-enyl)hepta-1,6-diene-4,4-diamine.
What is the SMILES notation for 4-N',4-N'-bis(prop-2-enyl)hepta-1,6-diene-4,4-diamine?
The canonical SMILES for 4-N',4-N'-bis(prop-2-enyl)hepta-1,6-diene-4,4-diamine is C=CCN(CC=C)C(N)(CC=C)CC=C.
What is the InChIKey of 4-N',4-N'-bis(prop-2-enyl)hepta-1,6-diene-4,4-diamine?
The InChIKey is XDYNIUQLIQJYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-9-13(14,10-6-2)15(11-7-3)12-8-4/h5-8H,1-4,9-12,14H2.
What are the key properties of 4-N',4-N'-bis(prop-2-enyl)hepta-1,6-diene-4,4-diamine?
4-N',4-N'-bis(prop-2-enyl)hepta-1,6-diene-4,4-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N',4-N'-bis(prop-2-enyl)hepta-1,6-diene-4,4-diamine is sourced from PubChem (CID 19810742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).