CID 170767414

C7H13BN2O — CID 170767414

IUPAC—
SMILES[B]C1CCN(C(=O)N(C)C)C1
InChIInChI=1S/C7H13BN2O/c1-9(2)7(11)10-4-3-6(8)5-10/h6H,3-5H2,1-2H3
InChIKeyLVDBMTGRBLOFDK-UHFFFAOYSA-N
MW152.01 g/mol
LogP0.33
Rot. Bonds

About CID 170767414

CID 170767414 (PubChem CID 170767414) has the molecular formula C7H13BN2O and a molecular weight of 152.01 g/mol.

Molecular Properties

Compound NameCID 170767414
PubChem CID170767414
Molecular FormulaC7H13BN2O
Molecular Weight152.01 g/mol
Exact Mass152.11
IUPAC Name—
SMILES[B]C1CCN(C(=O)N(C)C)C1
InChIInChI=1S/C7H13BN2O/c1-9(2)7(11)10-4-3-6(8)5-10/h6H,3-5H2,1-2H3
InChIKeyLVDBMTGRBLOFDK-UHFFFAOYSA-N
XLogP0.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.01
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 110470375
3-[ethyl(methyl)amino]-N,N-dimethylpyrrolidine-1-carboxamide
CID 166901348
N,N,9-trimethyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 115667112
N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide
CID 58688988
ethane;4-hydroxy-N,N-dimethylpiperidine-1-carboxamide
CID 177000200
(3R)-3-(2,2-dimethylpropyl)-N,N-dimethylpyrrolidine-1-carboxamide
CID 164775319
N,N-dimethyl-3-sulfamoylpyrrolidine-1-carboxamide
CID 136525151
3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 60756295
CID 168941428
CID 168941428
N,N-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 115661303
3-[aminooxysulfanyl(methyl)amino]-N,N-dimethylpyrrolidine-1-carboxamide
CID 137402450
1-N,1-N-dimethylazetidine-1,3-dicarboxamide
CID 130950203

Frequently Asked Questions

What is the IUPAC name of CID 170767414?
The IUPAC name of CID 170767414 (CID 170767414) is not available.
What is the SMILES notation for CID 170767414?
The canonical SMILES for CID 170767414 is [B]C1CCN(C(=O)N(C)C)C1.
What is the InChIKey of CID 170767414?
The InChIKey is LVDBMTGRBLOFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BN2O/c1-9(2)7(11)10-4-3-6(8)5-10/h6H,3-5H2,1-2H3.
What are the key properties of CID 170767414?
CID 170767414 has a molecular weight of 152.01 g/mol, XLogP of 0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170767414 is sourced from PubChem (CID 170767414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).