lithium;hydride;N-phenyl-N-prop-2-enylaniline

C15H16LiN — CID 174146477

IUPAClithium;hydride;N-phenyl-N-prop-2-enylaniline
SMILESC=CCN(c1ccccc1)c1ccccc1.[H-].[Li+]
InChIInChI=1S/C15H15N.Li.H/c1-2-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;;/h2-12H,1,13H2;;/q;+1;-1
InChIKeyZMIYBRJNXPKFGA-UHFFFAOYSA-N
MW217.24 g/mol
LogP1.13
Rot. Bonds4

About lithium;hydride;N-phenyl-N-prop-2-enylaniline

lithium;hydride;N-phenyl-N-prop-2-enylaniline (PubChem CID 174146477) has the molecular formula C15H16LiN and a molecular weight of 217.24 g/mol. Its IUPAC name is lithium;hydride;N-phenyl-N-prop-2-enylaniline.

Molecular Properties

Compound Namelithium;hydride;N-phenyl-N-prop-2-enylaniline
PubChem CID174146477
Molecular FormulaC15H16LiN
Molecular Weight217.24 g/mol
Exact Mass217.14
IUPAC Namelithium;hydride;N-phenyl-N-prop-2-enylaniline
SMILESC=CCN(c1ccccc1)c1ccccc1.[H-].[Li+]
InChIInChI=1S/C15H15N.Li.H/c1-2-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;;/h2-12H,1,13H2;;/q;+1;-1
InChIKeyZMIYBRJNXPKFGA-UHFFFAOYSA-N
XLogP1.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enoxy-N-prop-2-enylaniline
CID 10877921
N-prop-2-enyl-N-(trifluoromethyl)aniline
CID 19778773
2-nitro-N-phenyl-N-prop-2-enylaniline
CID 10967040
3-bromoprop-1-ene;N-phenyl-4-[4-(N-phenylanilino)phenyl]aniline;N-phenyl-4-[4-(N-phenylanilino)phenyl]-N-prop-2-enylaniline
CID 159564897
N'-phenyl-N'-prop-2-enylethane-1,2-diamine
CID 67884989
CID 11374036
CID 11374036
N-prop-2-enyl-N-propylaniline;hydrochloride
CID 131737394
N-[(E)-but-2-en-2-yl]-N-prop-2-enylaniline
CID 142821122
[prop-2-enyl(sulfino)amino]benzene
CID 57122703
N-[(1S)-1-phenylethyl]-N-prop-2-enylaniline
CID 93477605
N,N-diphenylprop-2-ene-1-sulfonamide
CID 175235096
2,2,2-trichloro-N-phenyl-N-prop-2-enylacetamide
CID 10901943

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;N-phenyl-N-prop-2-enylaniline?
The IUPAC name of lithium;hydride;N-phenyl-N-prop-2-enylaniline (CID 174146477) is lithium;hydride;N-phenyl-N-prop-2-enylaniline.
What is the SMILES notation for lithium;hydride;N-phenyl-N-prop-2-enylaniline?
The canonical SMILES for lithium;hydride;N-phenyl-N-prop-2-enylaniline is C=CCN(c1ccccc1)c1ccccc1.[H-].[Li+].
What is the InChIKey of lithium;hydride;N-phenyl-N-prop-2-enylaniline?
The InChIKey is ZMIYBRJNXPKFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N.Li.H/c1-2-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;;/h2-12H,1,13H2;;/q;+1;-1.
What are the key properties of lithium;hydride;N-phenyl-N-prop-2-enylaniline?
lithium;hydride;N-phenyl-N-prop-2-enylaniline has a molecular weight of 217.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;N-phenyl-N-prop-2-enylaniline is sourced from PubChem (CID 174146477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).