(Z)-2-(5-dimethylphosphanylpiperidin-3-yl)-3-iminoprop-1-en-1-amine

C10H20N3P — CID 139358059

IUPAC(Z)-2-(5-dimethylphosphanylpiperidin-3-yl)-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1CNCC(P(C)C)C1
InChIInChI=1S/C10H20N3P/c1-14(2)10-3-8(6-13-7-10)9(4-11)5-12/h4-5,8,10-11,13H,3,6-7,12H2,1-2H3/b9-5+,11-4+
InChIKeyOQOUVKYGGNMIOU-IZRNULKBSA-N
MW213.26 g/mol
LogP1.20
Rot. Bonds3

About (Z)-2-(5-dimethylphosphanylpiperidin-3-yl)-3-iminoprop-1-en-1-amine

(Z)-2-(5-dimethylphosphanylpiperidin-3-yl)-3-iminoprop-1-en-1-amine (PubChem CID 139358059) has the molecular formula C10H20N3P and a molecular weight of 213.26 g/mol. Its IUPAC name is (Z)-2-(5-dimethylphosphanylpiperidin-3-yl)-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(5-dimethylphosphanylpiperidin-3-yl)-3-iminoprop-1-en-1-amine
PubChem CID139358059
Molecular FormulaC10H20N3P
Molecular Weight213.26 g/mol
Exact Mass213.14
IUPAC Name(Z)-2-(5-dimethylphosphanylpiperidin-3-yl)-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1CNCC(P(C)C)C1
InChIInChI=1S/C10H20N3P/c1-14(2)10-3-8(6-13-7-10)9(4-11)5-12/h4-5,8,10-11,13H,3,6-7,12H2,1-2H3/b9-5+,11-4+
InChIKeyOQOUVKYGGNMIOU-IZRNULKBSA-N
XLogP1.20
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(5-dimethylphosphanylpiperidin-3-yl)-3-iminoprop-1-en-1-amine?
The IUPAC name of (Z)-2-(5-dimethylphosphanylpiperidin-3-yl)-3-iminoprop-1-en-1-amine (CID 139358059) is (Z)-2-(5-dimethylphosphanylpiperidin-3-yl)-3-iminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-2-(5-dimethylphosphanylpiperidin-3-yl)-3-iminoprop-1-en-1-amine?
The canonical SMILES for (Z)-2-(5-dimethylphosphanylpiperidin-3-yl)-3-iminoprop-1-en-1-amine is [H]/N=C/C(=C\N)C1CNCC(P(C)C)C1.
What is the InChIKey of (Z)-2-(5-dimethylphosphanylpiperidin-3-yl)-3-iminoprop-1-en-1-amine?
The InChIKey is OQOUVKYGGNMIOU-IZRNULKBSA-N. The full InChI is InChI=1S/C10H20N3P/c1-14(2)10-3-8(6-13-7-10)9(4-11)5-12/h4-5,8,10-11,13H,3,6-7,12H2,1-2H3/b9-5+,11-4+.
What are the key properties of (Z)-2-(5-dimethylphosphanylpiperidin-3-yl)-3-iminoprop-1-en-1-amine?
(Z)-2-(5-dimethylphosphanylpiperidin-3-yl)-3-iminoprop-1-en-1-amine has a molecular weight of 213.26 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(5-dimethylphosphanylpiperidin-3-yl)-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 139358059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).