CID 123356473

C16H26BN — CID 123356473

IUPAC—
SMILES[B]/C(CCCC)=N\C(\C=C/C=CC)=C(\C)C(C)C
InChIInChI=1S/C16H26BN/c1-6-8-10-11-15(14(5)13(3)4)18-16(17)12-9-7-2/h6,8,10-11,13H,7,9,12H2,1-5H3/b8-6?,11-10-,15-14-,18-16-
InChIKeyQFHZKJQQVHDAML-FGUJHUFASA-N
MW243.20 g/mol
LogP4.81
Rot. Bonds7

About CID 123356473

CID 123356473 (PubChem CID 123356473) has the molecular formula C16H26BN and a molecular weight of 243.20 g/mol.

Molecular Properties

Compound NameCID 123356473
PubChem CID123356473
Molecular FormulaC16H26BN
Molecular Weight243.20 g/mol
Exact Mass243.22
IUPAC Name—
SMILES[B]/C(CCCC)=N\C(\C=C/C=CC)=C(\C)C(C)C
InChIInChI=1S/C16H26BN/c1-6-8-10-11-15(14(5)13(3)4)18-16(17)12-9-7-2/h6,8,10-11,13H,7,9,12H2,1-5H3/b8-6?,11-10-,15-14-,18-16-
InChIKeyQFHZKJQQVHDAML-FGUJHUFASA-N
XLogP4.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.20
LogP ≤ 54.81
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze CID 123356473 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3E,5Z)-4,5-dimethylnona-3,5,8-trien-3-yl]-4-methylhexan-2-imine
CID 123167041
CID 123355696
CID 123355696
N-(4,5-dimethylhexa-1,3-dien-3-yl)hexan-2-imine
CID 123385474
3-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]butan-2-imine
CID 126661702
3-methyl-N-[(4Z,6Z)-6-prop-2-enylidenedeca-1,4-dien-2-yl]butan-2-imine
CID 137466884
3-methyl-N-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]butan-2-imine
CID 138645742
N-[(2E,4Z)-3,5-dimethylhepta-2,4,6-trien-2-yl]-3-methylbutan-2-imine
CID 156047396
3-methyl-N-[(3E,5E)-2,6,7-trimethylocta-1,3,5-trien-3-yl]butan-2-imine
CID 166671489
(3Z,5E)-6,7-dimethyl-N-(2-methylpent-2-en-3-yl)octa-3,5-dien-2-imine
CID 167035904
3-methyl-N-(2-methylcyclopenta-1,3-dien-1-yl)butan-2-imine
CID 167102371
ethane;N-[(2E,4Z)-3-ethylhexa-2,4-dien-2-yl]-3-methylbutan-2-imine;2-methylpropane
CID 168228210
N-[(2E,4Z)-3-ethylhexa-2,4-dien-2-yl]-3-methylbutan-2-imine
CID 168228211

Frequently Asked Questions

What is the IUPAC name of CID 123356473?
The IUPAC name of CID 123356473 (CID 123356473) is not available.
What is the SMILES notation for CID 123356473?
The canonical SMILES for CID 123356473 is [B]/C(CCCC)=N\C(\C=C/C=CC)=C(\C)C(C)C.
What is the InChIKey of CID 123356473?
The InChIKey is QFHZKJQQVHDAML-FGUJHUFASA-N. The full InChI is InChI=1S/C16H26BN/c1-6-8-10-11-15(14(5)13(3)4)18-16(17)12-9-7-2/h6,8,10-11,13H,7,9,12H2,1-5H3/b8-6?,11-10-,15-14-,18-16-.
What are the key properties of CID 123356473?
CID 123356473 has a molecular weight of 243.20 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123356473 is sourced from PubChem (CID 123356473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).