(3S,4S)-4-(diphenylphosphorylamino)-5-methylhex-1-en-3-ol

C19H24NO2P — CID 10520391

IUPAC(3S,4S)-4-(diphenylphosphorylamino)-5-methylhex-1-en-3-ol
SMILESC=C[C@H](O)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C19H24NO2P/c1-4-18(21)19(15(2)3)20-23(22,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h4-15,18-19,21H,1H2,2-3H3,(H,20,22)/t18-,19-/m0/s1
InChIKeyVHUGZPNOYHRAMX-OALUTQOASA-N
MW329.38 g/mol
LogP3.08
Rot. Bonds7

About (3S,4S)-4-(diphenylphosphorylamino)-5-methylhex-1-en-3-ol

(3S,4S)-4-(diphenylphosphorylamino)-5-methylhex-1-en-3-ol (PubChem CID 10520391) has the molecular formula C19H24NO2P and a molecular weight of 329.38 g/mol. Its IUPAC name is (3S,4S)-4-(diphenylphosphorylamino)-5-methylhex-1-en-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(diphenylphosphorylamino)-5-methylhex-1-en-3-ol
PubChem CID10520391
Molecular FormulaC19H24NO2P
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name(3S,4S)-4-(diphenylphosphorylamino)-5-methylhex-1-en-3-ol
SMILESC=C[C@H](O)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C19H24NO2P/c1-4-18(21)19(15(2)3)20-23(22,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h4-15,18-19,21H,1H2,2-3H3,(H,20,22)/t18-,19-/m0/s1
InChIKeyVHUGZPNOYHRAMX-OALUTQOASA-N
XLogP3.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(diphenylphosphorylamino)-3-methylbutan-1-ol
CID 23241768
N-diphenylphosphoryl-1-(furan-2-yl)-2-methylbut-3-en-1-amine
CID 132838677
(3R,4S,5R)-4-diphenylphosphorylhept-1-ene-3,5-diol
CID 10336740
(1S)-1-[benzyl(diphenylphosphoryl)amino]-1-phenylbut-3-en-2-ol
CID 134940856
(1S)-N-diphenylphosphoryl-1-phenylbut-3-en-1-amine
CID 139116114
(3S)-N-diphenylphosphoryl-4-methyl-1-phenylpent-1-yn-3-amine
CID 102043230
N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine
CID 72834270
4-diphenylphosphorylpent-1-en-3-one
CID 162717312
(E)-N-diphenylphosphoryl-2,2-dimethyl-1-phenylpent-3-en-1-amine
CID 5461276
4-N-diphenylphosphoryl-1-N-[methyl(phenyl)phosphoryl]benzene-1,4-diamine
CID 71676353
N-diphenylphosphoryl-2-nitro-1-phenylpropan-1-amine
CID 72811858
(1S)-N-diphenylphosphoryl-1-(3-methylphenyl)ethanamine
CID 101267694

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(diphenylphosphorylamino)-5-methylhex-1-en-3-ol?
The IUPAC name of (3S,4S)-4-(diphenylphosphorylamino)-5-methylhex-1-en-3-ol (CID 10520391) is (3S,4S)-4-(diphenylphosphorylamino)-5-methylhex-1-en-3-ol.
What is the SMILES notation for (3S,4S)-4-(diphenylphosphorylamino)-5-methylhex-1-en-3-ol?
The canonical SMILES for (3S,4S)-4-(diphenylphosphorylamino)-5-methylhex-1-en-3-ol is C=C[C@H](O)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of (3S,4S)-4-(diphenylphosphorylamino)-5-methylhex-1-en-3-ol?
The InChIKey is VHUGZPNOYHRAMX-OALUTQOASA-N. The full InChI is InChI=1S/C19H24NO2P/c1-4-18(21)19(15(2)3)20-23(22,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h4-15,18-19,21H,1H2,2-3H3,(H,20,22)/t18-,19-/m0/s1.
What are the key properties of (3S,4S)-4-(diphenylphosphorylamino)-5-methylhex-1-en-3-ol?
(3S,4S)-4-(diphenylphosphorylamino)-5-methylhex-1-en-3-ol has a molecular weight of 329.38 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(diphenylphosphorylamino)-5-methylhex-1-en-3-ol is sourced from PubChem (CID 10520391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).