lithium;N-benzyl-N-ethylcyclobut-2-en-1-amine;hydride

C13H18LiN — CID 174874760

IUPAClithium;N-benzyl-N-ethylcyclobut-2-en-1-amine;hydride
SMILESCCN(Cc1ccccc1)C1C=CC1.[H-].[Li+]
InChIInChI=1S/C13H17N.Li.H/c1-2-14(13-9-6-10-13)11-12-7-4-3-5-8-12;;/h3-9,13H,2,10-11H2,1H3;;/q;+1;-1
InChIKeyRXEZISXOWFYQBP-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.05
Rot. Bonds4

About lithium;N-benzyl-N-ethylcyclobut-2-en-1-amine;hydride

lithium;N-benzyl-N-ethylcyclobut-2-en-1-amine;hydride (PubChem CID 174874760) has the molecular formula C13H18LiN and a molecular weight of 195.24 g/mol. Its IUPAC name is lithium;N-benzyl-N-ethylcyclobut-2-en-1-amine;hydride.

Molecular Properties

Compound Namelithium;N-benzyl-N-ethylcyclobut-2-en-1-amine;hydride
PubChem CID174874760
Molecular FormulaC13H18LiN
Molecular Weight195.24 g/mol
Exact Mass195.16
IUPAC Namelithium;N-benzyl-N-ethylcyclobut-2-en-1-amine;hydride
SMILESCCN(Cc1ccccc1)C1C=CC1.[H-].[Li+]
InChIInChI=1S/C13H17N.Li.H/c1-2-14(13-9-6-10-13)11-12-7-4-3-5-8-12;;/h3-9,13H,2,10-11H2,1H3;;/q;+1;-1
InChIKeyRXEZISXOWFYQBP-UHFFFAOYSA-N
XLogP-0.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze lithium;N-benzyl-N-ethylcyclobut-2-en-1-amine;hydride 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

(1R)-N,N-dibenzylcyclohept-2-en-1-amine
CID 139091236
lithium N,N-dibenzylcyclopropanamine
CID 134888964
trans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol
CID 102731816
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231293
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
N-benzyl-N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 59151326
(1S)-N-benzyl-N-[(4-methoxyphenyl)methyl]cyclohex-2-en-1-amine
CID 102357278
3-[benzyl(ethyl)amino]pyrrolidin-2-one
CID 23073394
N,N-dibenzylcyclobutanamine
CID 70822586
1-(2-aminoethyl)-N-benzyl-N-ethylpiperidin-4-amine
CID 71301853
3-[benzyl(ethyl)amino]cyclopentane-1-carbonitrile
CID 66607984

Frequently Asked Questions

What is the IUPAC name of lithium;N-benzyl-N-ethylcyclobut-2-en-1-amine;hydride?
The IUPAC name of lithium;N-benzyl-N-ethylcyclobut-2-en-1-amine;hydride (CID 174874760) is lithium;N-benzyl-N-ethylcyclobut-2-en-1-amine;hydride.
What is the SMILES notation for lithium;N-benzyl-N-ethylcyclobut-2-en-1-amine;hydride?
The canonical SMILES for lithium;N-benzyl-N-ethylcyclobut-2-en-1-amine;hydride is CCN(Cc1ccccc1)C1C=CC1.[H-].[Li+].
What is the InChIKey of lithium;N-benzyl-N-ethylcyclobut-2-en-1-amine;hydride?
The InChIKey is RXEZISXOWFYQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.Li.H/c1-2-14(13-9-6-10-13)11-12-7-4-3-5-8-12;;/h3-9,13H,2,10-11H2,1H3;;/q;+1;-1.
What are the key properties of lithium;N-benzyl-N-ethylcyclobut-2-en-1-amine;hydride?
lithium;N-benzyl-N-ethylcyclobut-2-en-1-amine;hydride has a molecular weight of 195.24 g/mol, XLogP of -0.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;N-benzyl-N-ethylcyclobut-2-en-1-amine;hydride is sourced from PubChem (CID 174874760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).