(3S)-N-diphenylphosphoryl-4-methyl-1-phenylpent-1-yn-3-amine

C24H24NOP — CID 102043230

IUPAC(3S)-N-diphenylphosphoryl-4-methyl-1-phenylpent-1-yn-3-amine
SMILESCC(C)[C@@H](C#Cc1ccccc1)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24NOP/c1-20(2)24(19-18-21-12-6-3-7-13-21)25-27(26,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,24H,1-2H3,(H,25,26)/t24-/m1/s1
InChIKeyVOKOWBNHMNKDMC-XMMPIXPASA-N
MW373.44 g/mol
LogP4.58
Rot. Bonds5

About (3S)-N-diphenylphosphoryl-4-methyl-1-phenylpent-1-yn-3-amine

(3S)-N-diphenylphosphoryl-4-methyl-1-phenylpent-1-yn-3-amine (PubChem CID 102043230) has the molecular formula C24H24NOP and a molecular weight of 373.44 g/mol. Its IUPAC name is (3S)-N-diphenylphosphoryl-4-methyl-1-phenylpent-1-yn-3-amine.

Molecular Properties

Compound Name(3S)-N-diphenylphosphoryl-4-methyl-1-phenylpent-1-yn-3-amine
PubChem CID102043230
Molecular FormulaC24H24NOP
Molecular Weight373.44 g/mol
Exact Mass373.16
IUPAC Name(3S)-N-diphenylphosphoryl-4-methyl-1-phenylpent-1-yn-3-amine
SMILESCC(C)[C@@H](C#Cc1ccccc1)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24NOP/c1-20(2)24(19-18-21-12-6-3-7-13-21)25-27(26,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,24H,1-2H3,(H,25,26)/t24-/m1/s1
InChIKeyVOKOWBNHMNKDMC-XMMPIXPASA-N
XLogP4.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-N-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-amine
CID 101481551
(1R)-N-diphenylphosphoryl-3-phenyl-1-thiophen-2-ylprop-2-yn-1-amine
CID 101481565
2-(diphenylphosphorylamino)-3-methylbutan-1-ol
CID 23241768
(2S)-N-diphenylphosphoryl-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-amine
CID 67960735
N-diphenylphosphoryl-2-nitro-1-phenylpropan-1-amine
CID 72811858
N-(4-phenylbut-3-yn-2-yl)formamide
CID 15188374
N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine
CID 72834270
1-(4-methyl-1-phenylpent-1-yn-3-yl)pyrrolidine
CID 3360864
4-phenylbut-3-yn-2-amine;hydrochloride
CID 146445428
[(3S)-3-bromobut-1-ynyl]benzene
CID 99864815
1-[(3S)-4-methyl-1-phenylpent-1-yn-3-yl]piperidin-4-one
CID 102188894
(3S,4S)-4-(diphenylphosphorylamino)-5-methylhex-1-en-3-ol
CID 10520391

Frequently Asked Questions

What is the IUPAC name of (3S)-N-diphenylphosphoryl-4-methyl-1-phenylpent-1-yn-3-amine?
The IUPAC name of (3S)-N-diphenylphosphoryl-4-methyl-1-phenylpent-1-yn-3-amine (CID 102043230) is (3S)-N-diphenylphosphoryl-4-methyl-1-phenylpent-1-yn-3-amine.
What is the SMILES notation for (3S)-N-diphenylphosphoryl-4-methyl-1-phenylpent-1-yn-3-amine?
The canonical SMILES for (3S)-N-diphenylphosphoryl-4-methyl-1-phenylpent-1-yn-3-amine is CC(C)[C@@H](C#Cc1ccccc1)NP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S)-N-diphenylphosphoryl-4-methyl-1-phenylpent-1-yn-3-amine?
The InChIKey is VOKOWBNHMNKDMC-XMMPIXPASA-N. The full InChI is InChI=1S/C24H24NOP/c1-20(2)24(19-18-21-12-6-3-7-13-21)25-27(26,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,24H,1-2H3,(H,25,26)/t24-/m1/s1.
What are the key properties of (3S)-N-diphenylphosphoryl-4-methyl-1-phenylpent-1-yn-3-amine?
(3S)-N-diphenylphosphoryl-4-methyl-1-phenylpent-1-yn-3-amine has a molecular weight of 373.44 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-diphenylphosphoryl-4-methyl-1-phenylpent-1-yn-3-amine is sourced from PubChem (CID 102043230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).