lithium 4-ethylcycloheptan-1-imine

C9H16LiN — CID 22098159

IUPAClithium 4-ethylcycloheptan-1-imine
SMILES[H]/N=C1\CCC[C-](CC)CC1.[Li+]
InChIInChI=1S/C9H16N.Li/c1-2-8-4-3-5-9(10)7-6-8;/h10H,2-7H2,1H3;/q-1;+1/b10-9+;
InChIKeyVUBBDZSUYVXXRU-RRABGKBLSA-N
MW145.18 g/mol
LogP-0.04
Rot. Bonds1

About lithium 4-ethylcycloheptan-1-imine

lithium 4-ethylcycloheptan-1-imine (PubChem CID 22098159) has the molecular formula C9H16LiN and a molecular weight of 145.18 g/mol. Its IUPAC name is lithium 4-ethylcycloheptan-1-imine.

Molecular Properties

Compound Namelithium 4-ethylcycloheptan-1-imine
PubChem CID22098159
Molecular FormulaC9H16LiN
Molecular Weight145.18 g/mol
Exact Mass145.14
IUPAC Namelithium 4-ethylcycloheptan-1-imine
SMILES[H]/N=C1\CCC[C-](CC)CC1.[Li+]
InChIInChI=1S/C9H16N.Li/c1-2-8-4-3-5-9(10)7-6-8;/h10H,2-7H2,1H3;/q-1;+1/b10-9+;
InChIKeyVUBBDZSUYVXXRU-RRABGKBLSA-N
XLogP-0.04
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium 4-ethylcycloheptan-1-imine?
The IUPAC name of lithium 4-ethylcycloheptan-1-imine (CID 22098159) is lithium 4-ethylcycloheptan-1-imine.
What is the SMILES notation for lithium 4-ethylcycloheptan-1-imine?
The canonical SMILES for lithium 4-ethylcycloheptan-1-imine is [H]/N=C1\CCC[C-](CC)CC1.[Li+].
What is the InChIKey of lithium 4-ethylcycloheptan-1-imine?
The InChIKey is VUBBDZSUYVXXRU-RRABGKBLSA-N. The full InChI is InChI=1S/C9H16N.Li/c1-2-8-4-3-5-9(10)7-6-8;/h10H,2-7H2,1H3;/q-1;+1/b10-9+;.
What are the key properties of lithium 4-ethylcycloheptan-1-imine?
lithium 4-ethylcycloheptan-1-imine has a molecular weight of 145.18 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-ethylcycloheptan-1-imine is sourced from PubChem (CID 22098159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).