CID 175921298

C18H31NNa — CID 175921298

IUPAC—
SMILESCCCc1cccc(N(CCC)CCC)c1CCC.[Na]
InChIInChI=1S/C18H31N.Na/c1-5-10-16-12-9-13-18(17(16)11-6-2)19(14-7-3)15-8-4;/h9,12-13H,5-8,10-11,14-15H2,1-4H3;
InChIKeyIBJMJZISFKXXJA-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.84
Rot. Bonds9

About CID 175921298

CID 175921298 (PubChem CID 175921298) has the molecular formula C18H31NNa and a molecular weight of 284.44 g/mol.

Molecular Properties

Compound NameCID 175921298
PubChem CID175921298
Molecular FormulaC18H31NNa
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name—
SMILESCCCc1cccc(N(CCC)CCC)c1CCC.[Na]
InChIInChI=1S/C18H31N.Na/c1-5-10-16-12-9-13-18(17(16)11-6-2)19(14-7-3)15-8-4;/h9,12-13H,5-8,10-11,14-15H2,1-4H3;
InChIKeyIBJMJZISFKXXJA-UHFFFAOYSA-N
XLogP4.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 175921298?
The IUPAC name of CID 175921298 (CID 175921298) is not available.
What is the SMILES notation for CID 175921298?
The canonical SMILES for CID 175921298 is CCCc1cccc(N(CCC)CCC)c1CCC.[Na].
What is the InChIKey of CID 175921298?
The InChIKey is IBJMJZISFKXXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N.Na/c1-5-10-16-12-9-13-18(17(16)11-6-2)19(14-7-3)15-8-4;/h9,12-13H,5-8,10-11,14-15H2,1-4H3;.
What are the key properties of CID 175921298?
CID 175921298 has a molecular weight of 284.44 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175921298 is sourced from PubChem (CID 175921298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).