CID 89140707

C16H26BN3 — CID 89140707

IUPAC—
SMILES[B]N(C)CCC1CCC(c2cccnc2)(N(C)C)CC1
InChIInChI=1S/C16H26BN3/c1-19(2)16(15-5-4-11-18-13-15)9-6-14(7-10-16)8-12-20(3)17/h4-5,11,13-14H,6-10,12H2,1-3H3
InChIKeyOBGZFWNHDHKDTC-UHFFFAOYSA-N
MW271.22 g/mol
LogP2.43
Rot. Bonds5

About CID 89140707

CID 89140707 (PubChem CID 89140707) has the molecular formula C16H26BN3 and a molecular weight of 271.22 g/mol.

Molecular Properties

Compound NameCID 89140707
PubChem CID89140707
Molecular FormulaC16H26BN3
Molecular Weight271.22 g/mol
Exact Mass271.22
IUPAC Name—
SMILES[B]N(C)CCC1CCC(c2cccnc2)(N(C)C)CC1
InChIInChI=1S/C16H26BN3/c1-19(2)16(15-5-4-11-18-13-15)9-6-14(7-10-16)8-12-20(3)17/h4-5,11,13-14H,6-10,12H2,1-3H3
InChIKeyOBGZFWNHDHKDTC-UHFFFAOYSA-N
XLogP2.43
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 89140707?
The IUPAC name of CID 89140707 (CID 89140707) is not available.
What is the SMILES notation for CID 89140707?
The canonical SMILES for CID 89140707 is [B]N(C)CCC1CCC(c2cccnc2)(N(C)C)CC1.
What is the InChIKey of CID 89140707?
The InChIKey is OBGZFWNHDHKDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BN3/c1-19(2)16(15-5-4-11-18-13-15)9-6-14(7-10-16)8-12-20(3)17/h4-5,11,13-14H,6-10,12H2,1-3H3.
What are the key properties of CID 89140707?
CID 89140707 has a molecular weight of 271.22 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89140707 is sourced from PubChem (CID 89140707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).