(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine;propane

C11H18N2 — CID 91091857

IUPAC(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine;propane
SMILESC=C/C=C\C(=C)/C=N/N=C.CCC
InChIInChI=1S/C8H10N2.C3H8/c1-4-5-6-8(2)7-10-9-3;1-3-2/h4-7H,1-3H2;3H2,1-2H3/b6-5-,10-7-;
InChIKeyBZDQHHUHNPLDQE-LNWSVNOOSA-N
MW178.28 g/mol
LogP3.39
Rot. Bonds4

About (Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine;propane

(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine;propane (PubChem CID 91091857) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine;propane.

Molecular Properties

Compound Name(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine;propane
PubChem CID91091857
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine;propane
SMILESC=C/C=C\C(=C)/C=N/N=C.CCC
InChIInChI=1S/C8H10N2.C3H8/c1-4-5-6-8(2)7-10-9-3;1-3-2/h4-7H,1-3H2;3H2,1-2H3/b6-5-,10-7-;
InChIKeyBZDQHHUHNPLDQE-LNWSVNOOSA-N
XLogP3.39
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine;propane?
The IUPAC name of (Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine;propane (CID 91091857) is (Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine;propane.
What is the SMILES notation for (Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine;propane?
The canonical SMILES for (Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine;propane is C=C/C=C\C(=C)/C=N/N=C.CCC.
What is the InChIKey of (Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine;propane?
The InChIKey is BZDQHHUHNPLDQE-LNWSVNOOSA-N. The full InChI is InChI=1S/C8H10N2.C3H8/c1-4-5-6-8(2)7-10-9-3;1-3-2/h4-7H,1-3H2;3H2,1-2H3/b6-5-,10-7-;.
What are the key properties of (Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine;propane?
(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine;propane has a molecular weight of 178.28 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine;propane is sourced from PubChem (CID 91091857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).