CID 174086508

C17H29BN2 — CID 174086508

IUPAC—
SMILES[B]C1CCCCCC2=C(C/C(=N\C(C)C)N2C(C)C)C1
InChIInChI=1S/C17H29BN2/c1-12(2)19-17-11-14-10-15(18)8-6-5-7-9-16(14)20(17)13(3)4/h12-13,15H,5-11H2,1-4H3/b19-17+
InChIKeyACYNELKBDHJPQO-HTXNQAPBSA-N
MW272.25 g/mol
LogP4.47
Rot. Bonds2

About CID 174086508

CID 174086508 (PubChem CID 174086508) has the molecular formula C17H29BN2 and a molecular weight of 272.25 g/mol.

Molecular Properties

Compound NameCID 174086508
PubChem CID174086508
Molecular FormulaC17H29BN2
Molecular Weight272.25 g/mol
Exact Mass272.24
IUPAC Name—
SMILES[B]C1CCCCCC2=C(C/C(=N\C(C)C)N2C(C)C)C1
InChIInChI=1S/C17H29BN2/c1-12(2)19-17-11-14-10-15(18)8-6-5-7-9-16(14)20(17)13(3)4/h12-13,15H,5-11H2,1-4H3/b19-17+
InChIKeyACYNELKBDHJPQO-HTXNQAPBSA-N
XLogP4.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 54.47
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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Related Compounds

1,2,4,5-Tetrakis-decyl-1-methylimidazol-1-ium
CID 68450106
1,1,2,4-Tetrakis-decyl-5-methylimidazol-1-ium
CID 69007509
1,1,2,4,5-Pentakis-decylimidazol-1-ium
CID 69394423
CID 155707132
CID 155707132
CID 163252922
CID 163252922
CID 174073558
CID 174073558
5-methyl-N,1-di(propan-2-yl)-4,5,6,7,8,9-hexahydro-3H-cycloocta[b]pyrrol-2-imine
CID 174319616
8,13-Dimethyl-8-aza-1-azoniatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene
CID 23344254
CID 142616555
CID 142616555

Frequently Asked Questions

What is the IUPAC name of CID 174086508?
The IUPAC name of CID 174086508 (CID 174086508) is not available.
What is the SMILES notation for CID 174086508?
The canonical SMILES for CID 174086508 is [B]C1CCCCCC2=C(C/C(=N\C(C)C)N2C(C)C)C1.
What is the InChIKey of CID 174086508?
The InChIKey is ACYNELKBDHJPQO-HTXNQAPBSA-N. The full InChI is InChI=1S/C17H29BN2/c1-12(2)19-17-11-14-10-15(18)8-6-5-7-9-16(14)20(17)13(3)4/h12-13,15H,5-11H2,1-4H3/b19-17+.
What are the key properties of CID 174086508?
CID 174086508 has a molecular weight of 272.25 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174086508 is sourced from PubChem (CID 174086508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).