N-methyl-N-(3-phosphanylidenepropyl)aniline

C10H14NP — CID 123957652

IUPACN-methyl-N-(3-phosphanylidenepropyl)aniline
SMILES[H]/P=C/CCN(C)c1ccccc1
InChIInChI=1S/C10H14NP/c1-11(8-5-9-12)10-6-3-2-4-7-10/h2-4,6-7,9,12H,5,8H2,1H3
InChIKeyYBHLDDYNOWMMSO-UHFFFAOYSA-N
MW179.20 g/mol
LogP2.46
Rot. Bonds4

About N-methyl-N-(3-phosphanylidenepropyl)aniline

N-methyl-N-(3-phosphanylidenepropyl)aniline (PubChem CID 123957652) has the molecular formula C10H14NP and a molecular weight of 179.20 g/mol. Its IUPAC name is N-methyl-N-(3-phosphanylidenepropyl)aniline.

Molecular Properties

Compound NameN-methyl-N-(3-phosphanylidenepropyl)aniline
PubChem CID123957652
Molecular FormulaC10H14NP
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC NameN-methyl-N-(3-phosphanylidenepropyl)aniline
SMILES[H]/P=C/CCN(C)c1ccccc1
InChIInChI=1S/C10H14NP/c1-11(8-5-9-12)10-6-3-2-4-7-10/h2-4,6-7,9,12H,5,8H2,1H3
InChIKeyYBHLDDYNOWMMSO-UHFFFAOYSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methyl-N-(3-phosphanylidenepropyl)aniline 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-methyl-N-[(E)-pent-3-enyl]aniline
CID 162403387
carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
CID 22967947
ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine
CID 177320801
N,N,N'-trimethyl-N'-[2-(N-methylanilino)ethyl]ethane-1,2-diamine
CID 70599954
N-heptyl-N-methylaniline
CID 54015540
N-dodecyl-N-methylaniline;hydrochloride
CID 23333551
ethene;N'-methyl-N'-phenylpropane-1,3-diamine
CID 143617453
1-N,3-dimethyl-1-N-phenylbutane-1,3-diamine
CID 10797840
2-(N-methylanilino)ethyl-triphenylphosphanium
CID 71322750
N-(3,3-dimethylbutyl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 55085467
N-methyl-N-(3-pyrrol-1-ylpropyl)aniline
CID 43510642
N,N-dimethyl-3-[(N-methylanilino)methyl]aniline
CID 99811191

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-phosphanylidenepropyl)aniline?
The IUPAC name of N-methyl-N-(3-phosphanylidenepropyl)aniline (CID 123957652) is N-methyl-N-(3-phosphanylidenepropyl)aniline.
What is the SMILES notation for N-methyl-N-(3-phosphanylidenepropyl)aniline?
The canonical SMILES for N-methyl-N-(3-phosphanylidenepropyl)aniline is [H]/P=C/CCN(C)c1ccccc1.
What is the InChIKey of N-methyl-N-(3-phosphanylidenepropyl)aniline?
The InChIKey is YBHLDDYNOWMMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NP/c1-11(8-5-9-12)10-6-3-2-4-7-10/h2-4,6-7,9,12H,5,8H2,1H3.
What are the key properties of N-methyl-N-(3-phosphanylidenepropyl)aniline?
N-methyl-N-(3-phosphanylidenepropyl)aniline has a molecular weight of 179.20 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-phosphanylidenepropyl)aniline is sourced from PubChem (CID 123957652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).