CID 23694504

C6H14BLiN — CID 23694504

IUPAC—
SMILES[B-]N(CCC)CCC.[Li+]
InChIInChI=1S/C6H14BN.Li/c1-3-5-8(7)6-4-2;/h3-6H2,1-2H3;/q-1;+1
InChIKeyMARPGJYWODAMCX-UHFFFAOYSA-N
MW117.94 g/mol
LogP-1.80
Rot. Bonds4

About CID 23694504

CID 23694504 (PubChem CID 23694504) has the molecular formula C6H14BLiN and a molecular weight of 117.94 g/mol.

Molecular Properties

Compound NameCID 23694504
PubChem CID23694504
Molecular FormulaC6H14BLiN
Molecular Weight117.94 g/mol
Exact Mass118.14
IUPAC Name—
SMILES[B-]N(CCC)CCC.[Li+]
InChIInChI=1S/C6H14BN.Li/c1-3-5-8(7)6-4-2;/h3-6H2,1-2H3;/q-1;+1
InChIKeyMARPGJYWODAMCX-UHFFFAOYSA-N
XLogP-1.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.94
LogP ≤ 5-1.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dipropylpropan-1-amine;pentahydrochloride
CID 172789957
Tripropylamineborane
CID 21315686
N,N-dipropylpropan-1-amine;propane
CID 174574210
N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787
sodium;N,N-dipropylpropan-1-amine;chloride
CID 175189857
tris(N,N-dipropylthiohydroxylamine);trihydrofluoride
CID 173050625
N,N-diethylpropan-1-amine;methane
CID 144711865
1,1,2-triethyl-2-propylhydrazine
CID 54254142
N-ethyl-N-methanidylpropan-1-amine
CID 59691637
N,N-diethylethanamine;N,N-dipropylpropan-1-amine
CID 22257187
copper;N,N,N',N'-tetrapropylethane-1,2-diamine;dibromide
CID 173220545
copper;N,N,N',N'-tetrapropylethane-1,2-diamine;dichloride
CID 173220390

Frequently Asked Questions

What is the IUPAC name of CID 23694504?
The IUPAC name of CID 23694504 (CID 23694504) is not available.
What is the SMILES notation for CID 23694504?
The canonical SMILES for CID 23694504 is [B-]N(CCC)CCC.[Li+].
What is the InChIKey of CID 23694504?
The InChIKey is MARPGJYWODAMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BN.Li/c1-3-5-8(7)6-4-2;/h3-6H2,1-2H3;/q-1;+1.
What are the key properties of CID 23694504?
CID 23694504 has a molecular weight of 117.94 g/mol, XLogP of -1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23694504 is sourced from PubChem (CID 23694504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).