lithium (4-tert-butylcyclohexen-1-yl)-propylazanide

C13H24LiN — CID 135050270

IUPAClithium (4-tert-butylcyclohexen-1-yl)-propylazanide
SMILESCCC[N-]C1=CCC(C(C)(C)C)CC1.[Li+]
InChIInChI=1S/C13H24N.Li/c1-5-10-14-12-8-6-11(7-9-12)13(2,3)4;/h8,11H,5-7,9-10H2,1-4H3;/q-1;+1
InChIKeyWRLYHRYJWQIGEL-UHFFFAOYSA-N
MW201.28 g/mol
LogP1.50
Rot. Bonds3

About lithium (4-tert-butylcyclohexen-1-yl)-propylazanide

lithium (4-tert-butylcyclohexen-1-yl)-propylazanide (PubChem CID 135050270) has the molecular formula C13H24LiN and a molecular weight of 201.28 g/mol. Its IUPAC name is lithium (4-tert-butylcyclohexen-1-yl)-propylazanide.

Molecular Properties

Compound Namelithium (4-tert-butylcyclohexen-1-yl)-propylazanide
PubChem CID135050270
Molecular FormulaC13H24LiN
Molecular Weight201.28 g/mol
Exact Mass201.21
IUPAC Namelithium (4-tert-butylcyclohexen-1-yl)-propylazanide
SMILESCCC[N-]C1=CCC(C(C)(C)C)CC1.[Li+]
InChIInChI=1S/C13H24N.Li/c1-5-10-14-12-8-6-11(7-9-12)13(2,3)4;/h8,11H,5-7,9-10H2,1-4H3;/q-1;+1
InChIKeyWRLYHRYJWQIGEL-UHFFFAOYSA-N
XLogP1.50
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of lithium (4-tert-butylcyclohexen-1-yl)-propylazanide?
The IUPAC name of lithium (4-tert-butylcyclohexen-1-yl)-propylazanide (CID 135050270) is lithium (4-tert-butylcyclohexen-1-yl)-propylazanide.
What is the SMILES notation for lithium (4-tert-butylcyclohexen-1-yl)-propylazanide?
The canonical SMILES for lithium (4-tert-butylcyclohexen-1-yl)-propylazanide is CCC[N-]C1=CCC(C(C)(C)C)CC1.[Li+].
What is the InChIKey of lithium (4-tert-butylcyclohexen-1-yl)-propylazanide?
The InChIKey is WRLYHRYJWQIGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N.Li/c1-5-10-14-12-8-6-11(7-9-12)13(2,3)4;/h8,11H,5-7,9-10H2,1-4H3;/q-1;+1.
What are the key properties of lithium (4-tert-butylcyclohexen-1-yl)-propylazanide?
lithium (4-tert-butylcyclohexen-1-yl)-propylazanide has a molecular weight of 201.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (4-tert-butylcyclohexen-1-yl)-propylazanide is sourced from PubChem (CID 135050270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).