CID 170569082

C18H35BN2 — CID 170569082

IUPAC—
SMILES[B]CN1CCN(CCCC2CCC(CC(C)C)CC2)CC1
InChIInChI=1S/C18H35BN2/c1-16(2)14-18-7-5-17(6-8-18)4-3-9-20-10-12-21(15-19)13-11-20/h16-18H,3-15H2,1-2H3
InChIKeyJBVGIJRJLIWUTH-UHFFFAOYSA-N
MW290.30 g/mol
LogP3.36
Rot. Bonds7

About CID 170569082

CID 170569082 (PubChem CID 170569082) has the molecular formula C18H35BN2 and a molecular weight of 290.30 g/mol.

Molecular Properties

Compound NameCID 170569082
PubChem CID170569082
Molecular FormulaC18H35BN2
Molecular Weight290.30 g/mol
Exact Mass290.29
IUPAC Name—
SMILES[B]CN1CCN(CCCC2CCC(CC(C)C)CC2)CC1
InChIInChI=1S/C18H35BN2/c1-16(2)14-18-7-5-17(6-8-18)4-3-9-20-10-12-21(15-19)13-11-20/h16-18H,3-15H2,1-2H3
InChIKeyJBVGIJRJLIWUTH-UHFFFAOYSA-N
XLogP3.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 170569082?
The IUPAC name of CID 170569082 (CID 170569082) is not available.
What is the SMILES notation for CID 170569082?
The canonical SMILES for CID 170569082 is [B]CN1CCN(CCCC2CCC(CC(C)C)CC2)CC1.
What is the InChIKey of CID 170569082?
The InChIKey is JBVGIJRJLIWUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35BN2/c1-16(2)14-18-7-5-17(6-8-18)4-3-9-20-10-12-21(15-19)13-11-20/h16-18H,3-15H2,1-2H3.
What are the key properties of CID 170569082?
CID 170569082 has a molecular weight of 290.30 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170569082 is sourced from PubChem (CID 170569082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).