CID 155706738

C14H27BN2 — CID 155706738

IUPAC—
SMILESCC.[B]C1(C)CCCC2C1CC/C(=N\C)N2C
InChIInChI=1S/C12H21BN2.C2H6/c1-12(13)8-4-5-10-9(12)6-7-11(14-2)15(10)3;1-2/h9-10H,4-8H2,1-3H3;1-2H3/b14-11+;
InChIKeyWNYUHWBQPDPFIX-JHGYPSGKSA-N
MW234.20 g/mol
LogP3.28
Rot. Bonds

About CID 155706738

CID 155706738 (PubChem CID 155706738) has the molecular formula C14H27BN2 and a molecular weight of 234.20 g/mol.

Molecular Properties

Compound NameCID 155706738
PubChem CID155706738
Molecular FormulaC14H27BN2
Molecular Weight234.20 g/mol
Exact Mass234.23
IUPAC Name—
SMILESCC.[B]C1(C)CCCC2C1CC/C(=N\C)N2C
InChIInChI=1S/C12H21BN2.C2H6/c1-12(13)8-4-5-10-9(12)6-7-11(14-2)15(10)3;1-2/h9-10H,4-8H2,1-3H3;1-2H3/b14-11+;
InChIKeyWNYUHWBQPDPFIX-JHGYPSGKSA-N
XLogP3.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 53.28
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

Dimethylocta-hydronaphthyridine
CID 129700059
Methylethyloctahydro-naphthyridine
CID 129700063
CID 142548730
CID 142548730
CID 142548731
CID 142548731
CID 142616142
CID 142616142
CID 155707129
CID 155707129
CID 155751073
CID 155751073
N,1-dimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine
CID 156533459
N,2,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-imine
CID 156533464
CID 156795122
CID 156795122
CID 163268598
CID 163268598
5,5-dimethyl-N,1-di(propan-2-yl)-4,4a,6,7,8,8a-hexahydro-3H-quinolin-2-imine
CID 166684649

Frequently Asked Questions

What is the IUPAC name of CID 155706738?
The IUPAC name of CID 155706738 (CID 155706738) is not available.
What is the SMILES notation for CID 155706738?
The canonical SMILES for CID 155706738 is CC.[B]C1(C)CCCC2C1CC/C(=N\C)N2C.
What is the InChIKey of CID 155706738?
The InChIKey is WNYUHWBQPDPFIX-JHGYPSGKSA-N. The full InChI is InChI=1S/C12H21BN2.C2H6/c1-12(13)8-4-5-10-9(12)6-7-11(14-2)15(10)3;1-2/h9-10H,4-8H2,1-3H3;1-2H3/b14-11+;.
What are the key properties of CID 155706738?
CID 155706738 has a molecular weight of 234.20 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155706738 is sourced from PubChem (CID 155706738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).