CID 174045709

C14H25BN2 — CID 174045709

IUPAC—
SMILES[B]C1(C)CCC2/C(=N\C)N(C(C)C)CCC2C1
InChIInChI=1S/C14H25BN2/c1-10(2)17-8-6-11-9-14(3,15)7-5-12(11)13(17)16-4/h10-12H,5-9H2,1-4H3/b16-13+
InChIKeyFZVAPWFBWFGAMY-DTQAZKPQSA-N
MW232.18 g/mol
LogP2.89
Rot. Bonds1

About CID 174045709

CID 174045709 (PubChem CID 174045709) has the molecular formula C14H25BN2 and a molecular weight of 232.18 g/mol.

Molecular Properties

Compound NameCID 174045709
PubChem CID174045709
Molecular FormulaC14H25BN2
Molecular Weight232.18 g/mol
Exact Mass232.21
IUPAC Name—
SMILES[B]C1(C)CCC2/C(=N\C)N(C(C)C)CCC2C1
InChIInChI=1S/C14H25BN2/c1-10(2)17-8-6-11-9-14(3,15)7-5-12(11)13(17)16-4/h10-12H,5-9H2,1-4H3/b16-13+
InChIKeyFZVAPWFBWFGAMY-DTQAZKPQSA-N
XLogP2.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 174045709?
The IUPAC name of CID 174045709 (CID 174045709) is not available.
What is the SMILES notation for CID 174045709?
The canonical SMILES for CID 174045709 is [B]C1(C)CCC2/C(=N\C)N(C(C)C)CCC2C1.
What is the InChIKey of CID 174045709?
The InChIKey is FZVAPWFBWFGAMY-DTQAZKPQSA-N. The full InChI is InChI=1S/C14H25BN2/c1-10(2)17-8-6-11-9-14(3,15)7-5-12(11)13(17)16-4/h10-12H,5-9H2,1-4H3/b16-13+.
What are the key properties of CID 174045709?
CID 174045709 has a molecular weight of 232.18 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174045709 is sourced from PubChem (CID 174045709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).