(Z,2Z)-1-N-butan-2-yl-2-(4,4-dimethylpentan-2-ylidene)-3-N-prop-1-en-2-ylhex-4-ene-1,3-diimine

C20H34N2 — CID 166750805

IUPAC(Z,2Z)-1-N-butan-2-yl-2-(4,4-dimethylpentan-2-ylidene)-3-N-prop-1-en-2-ylhex-4-ene-1,3-diimine
SMILESC=C(C)/N=C(\C=C/C)C(/C=N/C(C)CC)=C(/C)CC(C)(C)C
InChIInChI=1S/C20H34N2/c1-10-12-19(22-15(3)4)18(14-21-17(6)11-2)16(5)13-20(7,8)9/h10,12,14,17H,3,11,13H2,1-2,4-9H3/b12-10-,18-16-,21-14+,22-19+
InChIKeyVNHYARQBFJAEGL-NJXKZIFHSA-N
MW302.51 g/mol
LogP6.16
Rot. Bonds7

About (Z,2Z)-1-N-butan-2-yl-2-(4,4-dimethylpentan-2-ylidene)-3-N-prop-1-en-2-ylhex-4-ene-1,3-diimine

(Z,2Z)-1-N-butan-2-yl-2-(4,4-dimethylpentan-2-ylidene)-3-N-prop-1-en-2-ylhex-4-ene-1,3-diimine (PubChem CID 166750805) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is (Z,2Z)-1-N-butan-2-yl-2-(4,4-dimethylpentan-2-ylidene)-3-N-prop-1-en-2-ylhex-4-ene-1,3-diimine.

Molecular Properties

Compound Name(Z,2Z)-1-N-butan-2-yl-2-(4,4-dimethylpentan-2-ylidene)-3-N-prop-1-en-2-ylhex-4-ene-1,3-diimine
PubChem CID166750805
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Name(Z,2Z)-1-N-butan-2-yl-2-(4,4-dimethylpentan-2-ylidene)-3-N-prop-1-en-2-ylhex-4-ene-1,3-diimine
SMILESC=C(C)/N=C(\C=C/C)C(/C=N/C(C)CC)=C(/C)CC(C)(C)C
InChIInChI=1S/C20H34N2/c1-10-12-19(22-15(3)4)18(14-21-17(6)11-2)16(5)13-20(7,8)9/h10,12,14,17H,3,11,13H2,1-2,4-9H3/b12-10-,18-16-,21-14+,22-19+
InChIKeyVNHYARQBFJAEGL-NJXKZIFHSA-N
XLogP6.16
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.51
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,2Z)-1-N-butan-2-yl-2-(4,4-dimethylpentan-2-ylidene)-3-N-prop-1-en-2-ylhex-4-ene-1,3-diimine?
The IUPAC name of (Z,2Z)-1-N-butan-2-yl-2-(4,4-dimethylpentan-2-ylidene)-3-N-prop-1-en-2-ylhex-4-ene-1,3-diimine (CID 166750805) is (Z,2Z)-1-N-butan-2-yl-2-(4,4-dimethylpentan-2-ylidene)-3-N-prop-1-en-2-ylhex-4-ene-1,3-diimine.
What is the SMILES notation for (Z,2Z)-1-N-butan-2-yl-2-(4,4-dimethylpentan-2-ylidene)-3-N-prop-1-en-2-ylhex-4-ene-1,3-diimine?
The canonical SMILES for (Z,2Z)-1-N-butan-2-yl-2-(4,4-dimethylpentan-2-ylidene)-3-N-prop-1-en-2-ylhex-4-ene-1,3-diimine is C=C(C)/N=C(\C=C/C)C(/C=N/C(C)CC)=C(/C)CC(C)(C)C.
What is the InChIKey of (Z,2Z)-1-N-butan-2-yl-2-(4,4-dimethylpentan-2-ylidene)-3-N-prop-1-en-2-ylhex-4-ene-1,3-diimine?
The InChIKey is VNHYARQBFJAEGL-NJXKZIFHSA-N. The full InChI is InChI=1S/C20H34N2/c1-10-12-19(22-15(3)4)18(14-21-17(6)11-2)16(5)13-20(7,8)9/h10,12,14,17H,3,11,13H2,1-2,4-9H3/b12-10-,18-16-,21-14+,22-19+.
What are the key properties of (Z,2Z)-1-N-butan-2-yl-2-(4,4-dimethylpentan-2-ylidene)-3-N-prop-1-en-2-ylhex-4-ene-1,3-diimine?
(Z,2Z)-1-N-butan-2-yl-2-(4,4-dimethylpentan-2-ylidene)-3-N-prop-1-en-2-ylhex-4-ene-1,3-diimine has a molecular weight of 302.51 g/mol, XLogP of 6.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z)-1-N-butan-2-yl-2-(4,4-dimethylpentan-2-ylidene)-3-N-prop-1-en-2-ylhex-4-ene-1,3-diimine is sourced from PubChem (CID 166750805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).