(Z,3E)-3-[(Z)-but-2-enylidene]-N-phosphanyl-N'-propan-2-ylbut-1-ene-1,4-diamine

C11H21N2P — CID 129032149

IUPAC(Z,3E)-3-[(Z)-but-2-enylidene]-N-phosphanyl-N'-propan-2-ylbut-1-ene-1,4-diamine
SMILESC/C=C\C=C(/C=C\NP)CNC(C)C
InChIInChI=1S/C11H21N2P/c1-4-5-6-11(7-8-13-14)9-12-10(2)3/h4-8,10,12-13H,9,14H2,1-3H3/b5-4-,8-7-,11-6+
InChIKeyXLCUGIXDLAOXCX-NWSIQZGGSA-N
MW212.28 g/mol
LogP2.38
Rot. Bonds6

About (Z,3E)-3-[(Z)-but-2-enylidene]-N-phosphanyl-N'-propan-2-ylbut-1-ene-1,4-diamine

(Z,3E)-3-[(Z)-but-2-enylidene]-N-phosphanyl-N'-propan-2-ylbut-1-ene-1,4-diamine (PubChem CID 129032149) has the molecular formula C11H21N2P and a molecular weight of 212.28 g/mol. Its IUPAC name is (Z,3E)-3-[(Z)-but-2-enylidene]-N-phosphanyl-N'-propan-2-ylbut-1-ene-1,4-diamine.

Molecular Properties

Compound Name(Z,3E)-3-[(Z)-but-2-enylidene]-N-phosphanyl-N'-propan-2-ylbut-1-ene-1,4-diamine
PubChem CID129032149
Molecular FormulaC11H21N2P
Molecular Weight212.28 g/mol
Exact Mass212.14
IUPAC Name(Z,3E)-3-[(Z)-but-2-enylidene]-N-phosphanyl-N'-propan-2-ylbut-1-ene-1,4-diamine
SMILESC/C=C\C=C(/C=C\NP)CNC(C)C
InChIInChI=1S/C11H21N2P/c1-4-5-6-11(7-8-13-14)9-12-10(2)3/h4-8,10,12-13H,9,14H2,1-3H3/b5-4-,8-7-,11-6+
InChIKeyXLCUGIXDLAOXCX-NWSIQZGGSA-N
XLogP2.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (Z,3E)-3-[(Z)-but-2-enylidene]-N-phosphanyl-N'-propan-2-ylbut-1-ene-1,4-diamine?
The IUPAC name of (Z,3E)-3-[(Z)-but-2-enylidene]-N-phosphanyl-N'-propan-2-ylbut-1-ene-1,4-diamine (CID 129032149) is (Z,3E)-3-[(Z)-but-2-enylidene]-N-phosphanyl-N'-propan-2-ylbut-1-ene-1,4-diamine.
What is the SMILES notation for (Z,3E)-3-[(Z)-but-2-enylidene]-N-phosphanyl-N'-propan-2-ylbut-1-ene-1,4-diamine?
The canonical SMILES for (Z,3E)-3-[(Z)-but-2-enylidene]-N-phosphanyl-N'-propan-2-ylbut-1-ene-1,4-diamine is C/C=C\C=C(/C=C\NP)CNC(C)C.
What is the InChIKey of (Z,3E)-3-[(Z)-but-2-enylidene]-N-phosphanyl-N'-propan-2-ylbut-1-ene-1,4-diamine?
The InChIKey is XLCUGIXDLAOXCX-NWSIQZGGSA-N. The full InChI is InChI=1S/C11H21N2P/c1-4-5-6-11(7-8-13-14)9-12-10(2)3/h4-8,10,12-13H,9,14H2,1-3H3/b5-4-,8-7-,11-6+.
What are the key properties of (Z,3E)-3-[(Z)-but-2-enylidene]-N-phosphanyl-N'-propan-2-ylbut-1-ene-1,4-diamine?
(Z,3E)-3-[(Z)-but-2-enylidene]-N-phosphanyl-N'-propan-2-ylbut-1-ene-1,4-diamine has a molecular weight of 212.28 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-3-[(Z)-but-2-enylidene]-N-phosphanyl-N'-propan-2-ylbut-1-ene-1,4-diamine is sourced from PubChem (CID 129032149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).