lithium 1-octylazepane

C14H28LiN — CID 22743290

IUPAClithium 1-octylazepane
SMILES[CH2-]CCCCCCCN1CCCCCC1.[Li+]
InChIInChI=1S/C14H28N.Li/c1-2-3-4-5-6-9-12-15-13-10-7-8-11-14-15;/h1-14H2;/q-1;+1
InChIKeyHMUJEVXIBKNFGS-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.04
Rot. Bonds7

About lithium 1-octylazepane

lithium 1-octylazepane (PubChem CID 22743290) has the molecular formula C14H28LiN and a molecular weight of 217.33 g/mol. Its IUPAC name is lithium 1-octylazepane.

Molecular Properties

Compound Namelithium 1-octylazepane
PubChem CID22743290
Molecular FormulaC14H28LiN
Molecular Weight217.33 g/mol
Exact Mass217.24
IUPAC Namelithium 1-octylazepane
SMILES[CH2-]CCCCCCCN1CCCCCC1.[Li+]
InChIInChI=1S/C14H28N.Li/c1-2-3-4-5-6-9-12-15-13-10-7-8-11-14-15;/h1-14H2;/q-1;+1
InChIKeyHMUJEVXIBKNFGS-UHFFFAOYSA-N
XLogP1.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
lithium 1-propylazonane
CID 90301986
1-propylazepane;yttrium
CID 59057891
1-dodecylazepane
CID 3366129
10-piperidin-1-yldecan-1-ol
CID 22218518
6-(azacyclotridec-1-yl)hexan-1-ol
CID 101161993
1-decylpiperidine
CID 4649960
1-octylazonane
CID 20533821
9-piperidin-1-ylnonan-1-amine
CID 123762077
7-(azepan-1-yl)heptan-1-amine
CID 28597448
1-hexylpiperazin-4-ium;yttrium
CID 170614951
1-hept-6-enylpiperidine
CID 143080853

Frequently Asked Questions

What is the IUPAC name of lithium 1-octylazepane?
The IUPAC name of lithium 1-octylazepane (CID 22743290) is lithium 1-octylazepane.
What is the SMILES notation for lithium 1-octylazepane?
The canonical SMILES for lithium 1-octylazepane is [CH2-]CCCCCCCN1CCCCCC1.[Li+].
What is the InChIKey of lithium 1-octylazepane?
The InChIKey is HMUJEVXIBKNFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N.Li/c1-2-3-4-5-6-9-12-15-13-10-7-8-11-14-15;/h1-14H2;/q-1;+1.
What are the key properties of lithium 1-octylazepane?
lithium 1-octylazepane has a molecular weight of 217.33 g/mol, XLogP of 1.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-octylazepane is sourced from PubChem (CID 22743290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).