(2S)-1-diphenylphosphanyl-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine

C24H29N2P — CID 101068607

IUPAC(2S)-1-diphenylphosphanyl-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine
SMILESCc1cccc(CN[C@H](CP(c2ccccc2)c2ccccc2)C(C)C)n1
InChIInChI=1S/C24H29N2P/c1-19(2)24(25-17-21-12-10-11-20(3)26-21)18-27(22-13-6-4-7-14-22)23-15-8-5-9-16-23/h4-16,19,24-25H,17-18H2,1-3H3/t24-/m1/s1
InChIKeySHEHCCCUMQGTPO-XMMPIXPASA-N
MW376.48 g/mol
LogP4.64
Rot. Bonds8

About (2S)-1-diphenylphosphanyl-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine

(2S)-1-diphenylphosphanyl-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine (PubChem CID 101068607) has the molecular formula C24H29N2P and a molecular weight of 376.48 g/mol. Its IUPAC name is (2S)-1-diphenylphosphanyl-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine.

Molecular Properties

Compound Name(2S)-1-diphenylphosphanyl-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine
PubChem CID101068607
Molecular FormulaC24H29N2P
Molecular Weight376.48 g/mol
Exact Mass376.21
IUPAC Name(2S)-1-diphenylphosphanyl-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine
SMILESCc1cccc(CN[C@H](CP(c2ccccc2)c2ccccc2)C(C)C)n1
InChIInChI=1S/C24H29N2P/c1-19(2)24(25-17-21-12-10-11-20(3)26-21)18-27(22-13-6-4-7-14-22)23-15-8-5-9-16-23/h4-16,19,24-25H,17-18H2,1-3H3/t24-/m1/s1
InChIKeySHEHCCCUMQGTPO-XMMPIXPASA-N
XLogP4.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
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 (2S)-1-diphenylphosphanyl-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine?
The IUPAC name of (2S)-1-diphenylphosphanyl-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine (CID 101068607) is (2S)-1-diphenylphosphanyl-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine.
What is the SMILES notation for (2S)-1-diphenylphosphanyl-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine?
The canonical SMILES for (2S)-1-diphenylphosphanyl-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine is Cc1cccc(CN[C@H](CP(c2ccccc2)c2ccccc2)C(C)C)n1.
What is the InChIKey of (2S)-1-diphenylphosphanyl-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine?
The InChIKey is SHEHCCCUMQGTPO-XMMPIXPASA-N. The full InChI is InChI=1S/C24H29N2P/c1-19(2)24(25-17-21-12-10-11-20(3)26-21)18-27(22-13-6-4-7-14-22)23-15-8-5-9-16-23/h4-16,19,24-25H,17-18H2,1-3H3/t24-/m1/s1.
What are the key properties of (2S)-1-diphenylphosphanyl-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine?
(2S)-1-diphenylphosphanyl-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine has a molecular weight of 376.48 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-diphenylphosphanyl-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine is sourced from PubChem (CID 101068607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).