4-methyl-N-[(4-methylpent-3-enylamino)-phenoxyphosphoryl]pent-3-en-1-amine

C18H29N2O2P — CID 162432067

IUPAC4-methyl-N-[(4-methylpent-3-enylamino)-phenoxyphosphoryl]pent-3-en-1-amine
SMILESCC(C)=CCCNP(=O)(NCCC=C(C)C)Oc1ccccc1
InChIInChI=1S/C18H29N2O2P/c1-16(2)10-8-14-19-23(21,20-15-9-11-17(3)4)22-18-12-6-5-7-13-18/h5-7,10-13H,8-9,14-15H2,1-4H3,(H2,19,20,21)
InChIKeyUADXCXDWWIWAJG-UHFFFAOYSA-N
MW336.42 g/mol
LogP5.07
Rot. Bonds10

About 4-methyl-N-[(4-methylpent-3-enylamino)-phenoxyphosphoryl]pent-3-en-1-amine

4-methyl-N-[(4-methylpent-3-enylamino)-phenoxyphosphoryl]pent-3-en-1-amine (PubChem CID 162432067) has the molecular formula C18H29N2O2P and a molecular weight of 336.42 g/mol. Its IUPAC name is 4-methyl-N-[(4-methylpent-3-enylamino)-phenoxyphosphoryl]pent-3-en-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(4-methylpent-3-enylamino)-phenoxyphosphoryl]pent-3-en-1-amine
PubChem CID162432067
Molecular FormulaC18H29N2O2P
Molecular Weight336.42 g/mol
Exact Mass336.20
IUPAC Name4-methyl-N-[(4-methylpent-3-enylamino)-phenoxyphosphoryl]pent-3-en-1-amine
SMILESCC(C)=CCCNP(=O)(NCCC=C(C)C)Oc1ccccc1
InChIInChI=1S/C18H29N2O2P/c1-16(2)10-8-14-19-23(21,20-15-9-11-17(3)4)22-18-12-6-5-7-13-18/h5-7,10-13H,8-9,14-15H2,1-4H3,(H2,19,20,21)
InChIKeyUADXCXDWWIWAJG-UHFFFAOYSA-N
XLogP5.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.42
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[(4-methylpent-3-enylamino)-phenoxyphosphoryl]pent-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,4-dimethyl-N-[[methyl(3-methylbut-2-enyl)amino]-phenoxyphosphoryl]pent-3-en-1-amine
CID 166922433
N-[methylamino(phenoxy)phosphoryl]methanamine
CID 15643
[(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphinate
CID 172675748
[2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 132915786
[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 14550387
4-diphenoxyphosphoryl-3-methylbut-2-enenitrile
CID 74317219
1-diphenoxyphosphorylethylidene(triphenyl)-lambda5-phosphane
CID 621814
N-[2-[2-(diphenoxyphosphorylamino)ethyldisulfanyl]ethyl]acetamide
CID 140893873
4-(diphenoxyphosphorylamino)butanoic acid
CID 164912358
[methyl-[[methyl(phenoxy)phosphoryl]amino]phosphoryl]oxybenzene
CID 11865181
[methoxy(methyl)phosphoryl]oxybenzene
CID 564592
but-1-enyl(phenoxy)phosphinic acid
CID 139802043

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methylpent-3-enylamino)-phenoxyphosphoryl]pent-3-en-1-amine?
The IUPAC name of 4-methyl-N-[(4-methylpent-3-enylamino)-phenoxyphosphoryl]pent-3-en-1-amine (CID 162432067) is 4-methyl-N-[(4-methylpent-3-enylamino)-phenoxyphosphoryl]pent-3-en-1-amine.
What is the SMILES notation for 4-methyl-N-[(4-methylpent-3-enylamino)-phenoxyphosphoryl]pent-3-en-1-amine?
The canonical SMILES for 4-methyl-N-[(4-methylpent-3-enylamino)-phenoxyphosphoryl]pent-3-en-1-amine is CC(C)=CCCNP(=O)(NCCC=C(C)C)Oc1ccccc1.
What is the InChIKey of 4-methyl-N-[(4-methylpent-3-enylamino)-phenoxyphosphoryl]pent-3-en-1-amine?
The InChIKey is UADXCXDWWIWAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N2O2P/c1-16(2)10-8-14-19-23(21,20-15-9-11-17(3)4)22-18-12-6-5-7-13-18/h5-7,10-13H,8-9,14-15H2,1-4H3,(H2,19,20,21).
What are the key properties of 4-methyl-N-[(4-methylpent-3-enylamino)-phenoxyphosphoryl]pent-3-en-1-amine?
4-methyl-N-[(4-methylpent-3-enylamino)-phenoxyphosphoryl]pent-3-en-1-amine has a molecular weight of 336.42 g/mol, XLogP of 5.07, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methylpent-3-enylamino)-phenoxyphosphoryl]pent-3-en-1-amine is sourced from PubChem (CID 162432067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).