2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;hydrochloride

C16H38ClNP2 — CID 87247126

IUPAC2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;hydrochloride
SMILESCC(C)P(CCNCCP(C(C)C)C(C)C)C(C)C.Cl
InChIInChI=1S/C16H37NP2.ClH/c1-13(2)18(14(3)4)11-9-17-10-12-19(15(5)6)16(7)8;/h13-17H,9-12H2,1-8H3;1H
InChIKeyQZIVMOCYNGWGMT-UHFFFAOYSA-N
MW341.89 g/mol
LogP5.60
Rot. Bonds10

About 2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;hydrochloride

2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;hydrochloride (PubChem CID 87247126) has the molecular formula C16H38ClNP2 and a molecular weight of 341.89 g/mol. Its IUPAC name is 2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;hydrochloride
PubChem CID87247126
Molecular FormulaC16H38ClNP2
Molecular Weight341.89 g/mol
Exact Mass341.22
IUPAC Name2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;hydrochloride
SMILESCC(C)P(CCNCCP(C(C)C)C(C)C)C(C)C.Cl
InChIInChI=1S/C16H37NP2.ClH/c1-13(2)18(14(3)4)11-9-17-10-12-19(15(5)6)16(7)8;/h13-17H,9-12H2,1-8H3;1H
InChIKeyQZIVMOCYNGWGMT-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.89
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;hydrochloride?
The IUPAC name of 2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;hydrochloride (CID 87247126) is 2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;hydrochloride?
The canonical SMILES for 2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;hydrochloride is CC(C)P(CCNCCP(C(C)C)C(C)C)C(C)C.Cl.
What is the InChIKey of 2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;hydrochloride?
The InChIKey is QZIVMOCYNGWGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37NP2.ClH/c1-13(2)18(14(3)4)11-9-17-10-12-19(15(5)6)16(7)8;/h13-17H,9-12H2,1-8H3;1H.
What are the key properties of 2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;hydrochloride?
2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;hydrochloride has a molecular weight of 341.89 g/mol, XLogP of 5.60, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;hydrochloride is sourced from PubChem (CID 87247126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).