(1Z,3Z)-1-[diethoxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)penta-1,3-dien-2-amine

C11H21N2O2P — CID 156564533

IUPAC(1Z,3Z)-1-[diethoxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)penta-1,3-dien-2-amine
SMILESC=N/C(=C(N)\C=C/C)P(=C)(OCC)OCC
InChIInChI=1S/C11H21N2O2P/c1-6-9-10(12)11(13-4)16(5,14-7-2)15-8-3/h6,9H,4-5,7-8,12H2,1-3H3/b9-6-,11-10-
InChIKeyBCPWRBZTIWQGHQ-ONEMGQKZSA-N
MW244.27 g/mol
LogP2.74
Rot. Bonds7

About (1Z,3Z)-1-[diethoxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)penta-1,3-dien-2-amine

(1Z,3Z)-1-[diethoxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)penta-1,3-dien-2-amine (PubChem CID 156564533) has the molecular formula C11H21N2O2P and a molecular weight of 244.27 g/mol. Its IUPAC name is (1Z,3Z)-1-[diethoxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)penta-1,3-dien-2-amine.

Molecular Properties

Compound Name(1Z,3Z)-1-[diethoxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)penta-1,3-dien-2-amine
PubChem CID156564533
Molecular FormulaC11H21N2O2P
Molecular Weight244.27 g/mol
Exact Mass244.13
IUPAC Name(1Z,3Z)-1-[diethoxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)penta-1,3-dien-2-amine
SMILESC=N/C(=C(N)\C=C/C)P(=C)(OCC)OCC
InChIInChI=1S/C11H21N2O2P/c1-6-9-10(12)11(13-4)16(5,14-7-2)15-8-3/h6,9H,4-5,7-8,12H2,1-3H3/b9-6-,11-10-
InChIKeyBCPWRBZTIWQGHQ-ONEMGQKZSA-N
XLogP2.74
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1-[diethoxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)penta-1,3-dien-2-amine?
The IUPAC name of (1Z,3Z)-1-[diethoxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)penta-1,3-dien-2-amine (CID 156564533) is (1Z,3Z)-1-[diethoxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)penta-1,3-dien-2-amine.
What is the SMILES notation for (1Z,3Z)-1-[diethoxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)penta-1,3-dien-2-amine?
The canonical SMILES for (1Z,3Z)-1-[diethoxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)penta-1,3-dien-2-amine is C=N/C(=C(N)\C=C/C)P(=C)(OCC)OCC.
What is the InChIKey of (1Z,3Z)-1-[diethoxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)penta-1,3-dien-2-amine?
The InChIKey is BCPWRBZTIWQGHQ-ONEMGQKZSA-N. The full InChI is InChI=1S/C11H21N2O2P/c1-6-9-10(12)11(13-4)16(5,14-7-2)15-8-3/h6,9H,4-5,7-8,12H2,1-3H3/b9-6-,11-10-.
What are the key properties of (1Z,3Z)-1-[diethoxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)penta-1,3-dien-2-amine?
(1Z,3Z)-1-[diethoxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)penta-1,3-dien-2-amine has a molecular weight of 244.27 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-[diethoxy(methylidene)-λ5-phosphanyl]-1-(methylideneamino)penta-1,3-dien-2-amine is sourced from PubChem (CID 156564533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).