N-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]-N-ethylethanamine

C19H35N2P — CID 53234144

IUPACN-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1cccc(CP(C(C)(C)C)C(C)(C)C)n1
InChIInChI=1S/C19H35N2P/c1-9-21(10-2)14-16-12-11-13-17(20-16)15-22(18(3,4)5)19(6,7)8/h11-13H,9-10,14-15H2,1-8H3
InChIKeyMTBWGMDPQBSPGF-UHFFFAOYSA-N
MW322.48 g/mol
LogP5.50
Rot. Bonds6

About N-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]-N-ethylethanamine

N-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]-N-ethylethanamine (PubChem CID 53234144) has the molecular formula C19H35N2P and a molecular weight of 322.48 g/mol. Its IUPAC name is N-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]-N-ethylethanamine
PubChem CID53234144
Molecular FormulaC19H35N2P
Molecular Weight322.48 g/mol
Exact Mass322.25
IUPAC NameN-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1cccc(CP(C(C)(C)C)C(C)(C)C)n1
InChIInChI=1S/C19H35N2P/c1-9-21(10-2)14-16-12-11-13-17(20-16)15-22(18(3,4)5)19(6,7)8/h11-13H,9-10,14-15H2,1-8H3
InChIKeyMTBWGMDPQBSPGF-UHFFFAOYSA-N
XLogP5.50
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.48
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]-N-ethylethanamine (CID 53234144) is N-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]-N-ethylethanamine is CCN(CC)Cc1cccc(CP(C(C)(C)C)C(C)(C)C)n1.
What is the InChIKey of N-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]-N-ethylethanamine?
The InChIKey is MTBWGMDPQBSPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N2P/c1-9-21(10-2)14-16-12-11-13-17(20-16)15-22(18(3,4)5)19(6,7)8/h11-13H,9-10,14-15H2,1-8H3.
What are the key properties of N-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]-N-ethylethanamine?
N-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]-N-ethylethanamine has a molecular weight of 322.48 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]-N-ethylethanamine is sourced from PubChem (CID 53234144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).