N,4-dimethyl-N-[[methyl(3-methylbut-2-enyl)amino]-phenoxyphosphoryl]pent-3-en-1-amine

C19H31N2O2P — CID 166922433

IUPACN,4-dimethyl-N-[[methyl(3-methylbut-2-enyl)amino]-phenoxyphosphoryl]pent-3-en-1-amine
SMILESCC(C)=CCCN(C)P(=O)(Oc1ccccc1)N(C)CC=C(C)C
InChIInChI=1S/C19H31N2O2P/c1-17(2)11-10-15-20(5)24(22,21(6)16-14-18(3)4)23-19-12-8-7-9-13-19/h7-9,11-14H,10,15-16H2,1-6H3
InChIKeyDKQIPODLVWUPOH-UHFFFAOYSA-N
MW350.44 g/mol
LogP5.36
Rot. Bonds9

About N,4-dimethyl-N-[[methyl(3-methylbut-2-enyl)amino]-phenoxyphosphoryl]pent-3-en-1-amine

N,4-dimethyl-N-[[methyl(3-methylbut-2-enyl)amino]-phenoxyphosphoryl]pent-3-en-1-amine (PubChem CID 166922433) has the molecular formula C19H31N2O2P and a molecular weight of 350.44 g/mol. Its IUPAC name is N,4-dimethyl-N-[[methyl(3-methylbut-2-enyl)amino]-phenoxyphosphoryl]pent-3-en-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-[[methyl(3-methylbut-2-enyl)amino]-phenoxyphosphoryl]pent-3-en-1-amine
PubChem CID166922433
Molecular FormulaC19H31N2O2P
Molecular Weight350.44 g/mol
Exact Mass350.21
IUPAC NameN,4-dimethyl-N-[[methyl(3-methylbut-2-enyl)amino]-phenoxyphosphoryl]pent-3-en-1-amine
SMILESCC(C)=CCCN(C)P(=O)(Oc1ccccc1)N(C)CC=C(C)C
InChIInChI=1S/C19H31N2O2P/c1-17(2)11-10-15-20(5)24(22,21(6)16-14-18(3)4)23-19-12-8-7-9-13-19/h7-9,11-14H,10,15-16H2,1-6H3
InChIKeyDKQIPODLVWUPOH-UHFFFAOYSA-N
XLogP5.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.44
LogP ≤ 55.36
H-Bond Donors ≤ 50
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

4-methyl-N-[(4-methylpent-3-enylamino)-phenoxyphosphoryl]pent-3-en-1-amine
CID 162432067
[(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphinate
CID 172675748
but-1-enyl(phenoxy)phosphinic acid
CID 139802043
[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 14550387
phenyl 3,7-dimethyloct-6-enoate
CID 142994428
N-methyl-N-[methyl(phenoxy)phosphoryl]methanamine
CID 102289080
N,N-bis(dimethylamino)-phenoxyphosphonamidic acid
CID 154221653
2-(dimethylamino)ethyl diphenyl phosphate
CID 169439172
N-[(4-chlorophenoxy)-[methyl(2-methylpropyl)amino]phosphoryl]-N,3-dimethylbutan-1-amine
CID 19733994
N-methoxy-N,4-dimethylpent-3-en-1-amine
CID 59360097
[diphenoxyphosphoryl(methyl)amino] 2-methylprop-2-enoate
CID 141361704
[chloromethyl(methyl)phosphoryl]oxybenzene
CID 71410923

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[[methyl(3-methylbut-2-enyl)amino]-phenoxyphosphoryl]pent-3-en-1-amine?
The IUPAC name of N,4-dimethyl-N-[[methyl(3-methylbut-2-enyl)amino]-phenoxyphosphoryl]pent-3-en-1-amine (CID 166922433) is N,4-dimethyl-N-[[methyl(3-methylbut-2-enyl)amino]-phenoxyphosphoryl]pent-3-en-1-amine.
What is the SMILES notation for N,4-dimethyl-N-[[methyl(3-methylbut-2-enyl)amino]-phenoxyphosphoryl]pent-3-en-1-amine?
The canonical SMILES for N,4-dimethyl-N-[[methyl(3-methylbut-2-enyl)amino]-phenoxyphosphoryl]pent-3-en-1-amine is CC(C)=CCCN(C)P(=O)(Oc1ccccc1)N(C)CC=C(C)C.
What is the InChIKey of N,4-dimethyl-N-[[methyl(3-methylbut-2-enyl)amino]-phenoxyphosphoryl]pent-3-en-1-amine?
The InChIKey is DKQIPODLVWUPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N2O2P/c1-17(2)11-10-15-20(5)24(22,21(6)16-14-18(3)4)23-19-12-8-7-9-13-19/h7-9,11-14H,10,15-16H2,1-6H3.
What are the key properties of N,4-dimethyl-N-[[methyl(3-methylbut-2-enyl)amino]-phenoxyphosphoryl]pent-3-en-1-amine?
N,4-dimethyl-N-[[methyl(3-methylbut-2-enyl)amino]-phenoxyphosphoryl]pent-3-en-1-amine has a molecular weight of 350.44 g/mol, XLogP of 5.36, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[[methyl(3-methylbut-2-enyl)amino]-phenoxyphosphoryl]pent-3-en-1-amine is sourced from PubChem (CID 166922433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).