lithium cyclohexen-1-ylmethyl N,N-di(propan-2-yl)carbamate

C14H24LiNO2 — CID 177495934

IUPAClithium cyclohexen-1-ylmethyl N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)O[CH-]C1=CCCCC1)C(C)C.[Li+]
InChIInChI=1S/C14H24NO2.Li/c1-11(2)15(12(3)4)14(16)17-10-13-8-6-5-7-9-13;/h8,10-12H,5-7,9H2,1-4H3;/q-1;+1
InChIKeyRNDAEEWJRRYLMV-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.91
Rot. Bonds4

About lithium cyclohexen-1-ylmethyl N,N-di(propan-2-yl)carbamate

lithium cyclohexen-1-ylmethyl N,N-di(propan-2-yl)carbamate (PubChem CID 177495934) has the molecular formula C14H24LiNO2 and a molecular weight of 245.29 g/mol. Its IUPAC name is lithium cyclohexen-1-ylmethyl N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Namelithium cyclohexen-1-ylmethyl N,N-di(propan-2-yl)carbamate
PubChem CID177495934
Molecular FormulaC14H24LiNO2
Molecular Weight245.29 g/mol
Exact Mass245.20
IUPAC Namelithium cyclohexen-1-ylmethyl N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)O[CH-]C1=CCCCC1)C(C)C.[Li+]
InChIInChI=1S/C14H24NO2.Li/c1-11(2)15(12(3)4)14(16)17-10-13-8-6-5-7-9-13;/h8,10-12H,5-7,9H2,1-4H3;/q-1;+1
InChIKeyRNDAEEWJRRYLMV-UHFFFAOYSA-N
XLogP0.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium cyclohexen-1-ylmethyl N,N-di(propan-2-yl)carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium cyclohexen-1-ylmethyl N,N-di(propan-2-yl)carbamate?
The IUPAC name of lithium cyclohexen-1-ylmethyl N,N-di(propan-2-yl)carbamate (CID 177495934) is lithium cyclohexen-1-ylmethyl N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for lithium cyclohexen-1-ylmethyl N,N-di(propan-2-yl)carbamate?
The canonical SMILES for lithium cyclohexen-1-ylmethyl N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)O[CH-]C1=CCCCC1)C(C)C.[Li+].
What is the InChIKey of lithium cyclohexen-1-ylmethyl N,N-di(propan-2-yl)carbamate?
The InChIKey is RNDAEEWJRRYLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24NO2.Li/c1-11(2)15(12(3)4)14(16)17-10-13-8-6-5-7-9-13;/h8,10-12H,5-7,9H2,1-4H3;/q-1;+1.
What are the key properties of lithium cyclohexen-1-ylmethyl N,N-di(propan-2-yl)carbamate?
lithium cyclohexen-1-ylmethyl N,N-di(propan-2-yl)carbamate has a molecular weight of 245.29 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium cyclohexen-1-ylmethyl N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 177495934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).