CID 174611758

C15H20BN2 — CID 174611758

IUPAC—
SMILESCCCCCC[B]C1=CN=Cc2ccccc2N1
InChIInChI=1S/C15H20BN2/c1-2-3-4-7-10-16-15-12-17-11-13-8-5-6-9-14(13)18-15/h5-6,8-9,11-12,18H,2-4,7,10H2,1H3
InChIKeyNKLMBHRONQIRLE-UHFFFAOYSA-N
MW239.15 g/mol
LogP4.03
Rot. Bonds6

About CID 174611758

CID 174611758 (PubChem CID 174611758) has the molecular formula C15H20BN2 and a molecular weight of 239.15 g/mol.

Molecular Properties

Compound NameCID 174611758
PubChem CID174611758
Molecular FormulaC15H20BN2
Molecular Weight239.15 g/mol
Exact Mass239.17
IUPAC Name—
SMILESCCCCCC[B]C1=CN=Cc2ccccc2N1
InChIInChI=1S/C15H20BN2/c1-2-3-4-7-10-16-15-12-17-11-13-8-5-6-9-14(13)18-15/h5-6,8-9,11-12,18H,2-4,7,10H2,1H3
InChIKeyNKLMBHRONQIRLE-UHFFFAOYSA-N
XLogP4.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1,2-Dihydroquinazoline
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2-(Phenyliminomethyl)aniline
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1H-1-Benzazepine
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Pyrrolo(1,2-a)(1,4)benzodiazepine
CID 129758481
N,N-Dimethyl-4-[(E)-(methylimino)methyl]aniline
CID 12451889
(NE)-N-[(2-anilinophenyl)methylidene]hydroxylamine
CID 10584650
7,8,15,16,17,18-Hexahydrodibenzo(e,m)(1,4,8,11)tetraazacyclotetradecine
CID 328508
Fluorobenzo-1,4-diazepine
CID 129876041
2-(tert-butyliminomethyl)-4-fluoro-N,N-dimethylaniline
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Frequently Asked Questions

What is the IUPAC name of CID 174611758?
The IUPAC name of CID 174611758 (CID 174611758) is not available.
What is the SMILES notation for CID 174611758?
The canonical SMILES for CID 174611758 is CCCCCC[B]C1=CN=Cc2ccccc2N1.
What is the InChIKey of CID 174611758?
The InChIKey is NKLMBHRONQIRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BN2/c1-2-3-4-7-10-16-15-12-17-11-13-8-5-6-9-14(13)18-15/h5-6,8-9,11-12,18H,2-4,7,10H2,1H3.
What are the key properties of CID 174611758?
CID 174611758 has a molecular weight of 239.15 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174611758 is sourced from PubChem (CID 174611758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).