CID 123730210

C16H29BN2O2 — CID 123730210

IUPAC—
SMILES[B]CCCCC(N)(C(=O)O)C1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H29BN2O2/c17-10-4-3-9-16(18,15(20)21)13-7-11-19(12-8-13)14-5-1-2-6-14/h13-14H,1-12,18H2,(H,20,21)
InChIKeyQDYQMQAYHPCIQZ-UHFFFAOYSA-N
MW292.23 g/mol
LogP2.18
Rot. Bonds7

About CID 123730210

CID 123730210 (PubChem CID 123730210) has the molecular formula C16H29BN2O2 and a molecular weight of 292.23 g/mol.

Molecular Properties

Compound NameCID 123730210
PubChem CID123730210
Molecular FormulaC16H29BN2O2
Molecular Weight292.23 g/mol
Exact Mass292.23
IUPAC Name—
SMILES[B]CCCCC(N)(C(=O)O)C1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H29BN2O2/c17-10-4-3-9-16(18,15(20)21)13-7-11-19(12-8-13)14-5-1-2-6-14/h13-14H,1-12,18H2,(H,20,21)
InChIKeyQDYQMQAYHPCIQZ-UHFFFAOYSA-N
XLogP2.18
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 123730210?
The IUPAC name of CID 123730210 (CID 123730210) is not available.
What is the SMILES notation for CID 123730210?
The canonical SMILES for CID 123730210 is [B]CCCCC(N)(C(=O)O)C1CCN(C2CCCC2)CC1.
What is the InChIKey of CID 123730210?
The InChIKey is QDYQMQAYHPCIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29BN2O2/c17-10-4-3-9-16(18,15(20)21)13-7-11-19(12-8-13)14-5-1-2-6-14/h13-14H,1-12,18H2,(H,20,21).
What are the key properties of CID 123730210?
CID 123730210 has a molecular weight of 292.23 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123730210 is sourced from PubChem (CID 123730210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).