3-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine

C20H28N2 — CID 15202893

IUPAC3-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine
SMILESCCN(CC)C1=C(N(CC)CC)C1=C1/C=C\C=C/C=C\C=C/1
InChIInChI=1S/C20H28N2/c1-5-21(6-2)19-18(20(19)22(7-3)8-4)17-15-13-11-9-10-12-14-16-17/h9-16H,5-8H2,1-4H3/b11-9-,12-10-,15-13-,16-14-
InChIKeyOBOQVUSKUJVOFH-LUHLCGLTSA-N
MW296.46 g/mol
LogP4.43
Rot. Bonds6

About 3-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine

3-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine (PubChem CID 15202893) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 3-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine.

Molecular Properties

Compound Name3-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine
PubChem CID15202893
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name3-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine
SMILESCCN(CC)C1=C(N(CC)CC)C1=C1/C=C\C=C/C=C\C=C/1
InChIInChI=1S/C20H28N2/c1-5-21(6-2)19-18(20(19)22(7-3)8-4)17-15-13-11-9-10-12-14-16-17/h9-16H,5-8H2,1-4H3/b11-9-,12-10-,15-13-,16-14-
InChIKeyOBOQVUSKUJVOFH-LUHLCGLTSA-N
XLogP4.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine?
The IUPAC name of 3-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine (CID 15202893) is 3-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine.
What is the SMILES notation for 3-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine?
The canonical SMILES for 3-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine is CCN(CC)C1=C(N(CC)CC)C1=C1/C=C\C=C/C=C\C=C/1.
What is the InChIKey of 3-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine?
The InChIKey is OBOQVUSKUJVOFH-LUHLCGLTSA-N. The full InChI is InChI=1S/C20H28N2/c1-5-21(6-2)19-18(20(19)22(7-3)8-4)17-15-13-11-9-10-12-14-16-17/h9-16H,5-8H2,1-4H3/b11-9-,12-10-,15-13-,16-14-.
What are the key properties of 3-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine?
3-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine has a molecular weight of 296.46 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine is sourced from PubChem (CID 15202893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).