(Z,3E)-N-phosphanyl-N'-propan-2-yl-3-prop-2-enylidenebut-1-ene-1,4-diamine

C10H19N2P — CID 129031770

IUPAC(Z,3E)-N-phosphanyl-N'-propan-2-yl-3-prop-2-enylidenebut-1-ene-1,4-diamine
SMILESC=C/C=C(\C=C/NP)CNC(C)C
InChIInChI=1S/C10H19N2P/c1-4-5-10(6-7-12-13)8-11-9(2)3/h4-7,9,11-12H,1,8,13H2,2-3H3/b7-6-,10-5+
InChIKeyBGYPHVVEXXSSRO-JQEGGOPCSA-N
MW198.25 g/mol
LogP1.99
Rot. Bonds6

About (Z,3E)-N-phosphanyl-N'-propan-2-yl-3-prop-2-enylidenebut-1-ene-1,4-diamine

(Z,3E)-N-phosphanyl-N'-propan-2-yl-3-prop-2-enylidenebut-1-ene-1,4-diamine (PubChem CID 129031770) has the molecular formula C10H19N2P and a molecular weight of 198.25 g/mol. Its IUPAC name is (Z,3E)-N-phosphanyl-N'-propan-2-yl-3-prop-2-enylidenebut-1-ene-1,4-diamine.

Molecular Properties

Compound Name(Z,3E)-N-phosphanyl-N'-propan-2-yl-3-prop-2-enylidenebut-1-ene-1,4-diamine
PubChem CID129031770
Molecular FormulaC10H19N2P
Molecular Weight198.25 g/mol
Exact Mass198.13
IUPAC Name(Z,3E)-N-phosphanyl-N'-propan-2-yl-3-prop-2-enylidenebut-1-ene-1,4-diamine
SMILESC=C/C=C(\C=C/NP)CNC(C)C
InChIInChI=1S/C10H19N2P/c1-4-5-10(6-7-12-13)8-11-9(2)3/h4-7,9,11-12H,1,8,13H2,2-3H3/b7-6-,10-5+
InChIKeyBGYPHVVEXXSSRO-JQEGGOPCSA-N
XLogP1.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.99
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)-N-phosphanyl-N'-propan-2-yl-3-prop-2-enylidenebut-1-ene-1,4-diamine?
The IUPAC name of (Z,3E)-N-phosphanyl-N'-propan-2-yl-3-prop-2-enylidenebut-1-ene-1,4-diamine (CID 129031770) is (Z,3E)-N-phosphanyl-N'-propan-2-yl-3-prop-2-enylidenebut-1-ene-1,4-diamine.
What is the SMILES notation for (Z,3E)-N-phosphanyl-N'-propan-2-yl-3-prop-2-enylidenebut-1-ene-1,4-diamine?
The canonical SMILES for (Z,3E)-N-phosphanyl-N'-propan-2-yl-3-prop-2-enylidenebut-1-ene-1,4-diamine is C=C/C=C(\C=C/NP)CNC(C)C.
What is the InChIKey of (Z,3E)-N-phosphanyl-N'-propan-2-yl-3-prop-2-enylidenebut-1-ene-1,4-diamine?
The InChIKey is BGYPHVVEXXSSRO-JQEGGOPCSA-N. The full InChI is InChI=1S/C10H19N2P/c1-4-5-10(6-7-12-13)8-11-9(2)3/h4-7,9,11-12H,1,8,13H2,2-3H3/b7-6-,10-5+.
What are the key properties of (Z,3E)-N-phosphanyl-N'-propan-2-yl-3-prop-2-enylidenebut-1-ene-1,4-diamine?
(Z,3E)-N-phosphanyl-N'-propan-2-yl-3-prop-2-enylidenebut-1-ene-1,4-diamine has a molecular weight of 198.25 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-N-phosphanyl-N'-propan-2-yl-3-prop-2-enylidenebut-1-ene-1,4-diamine is sourced from PubChem (CID 129031770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).