CID 174138442

C10H21BN2O — CID 174138442

IUPAC—
SMILES[B]C(C)N(C)CCN(C)C(=O)C(C)C
InChIInChI=1S/C10H21BN2O/c1-8(2)10(14)13(5)7-6-12(4)9(3)11/h8-9H,6-7H2,1-5H3
InChIKeyBZVYHRZHUFTPGA-UHFFFAOYSA-N
MW196.10 g/mol
LogP0.55
Rot. Bonds5

About CID 174138442

CID 174138442 (PubChem CID 174138442) has the molecular formula C10H21BN2O and a molecular weight of 196.10 g/mol.

Molecular Properties

Compound NameCID 174138442
PubChem CID174138442
Molecular FormulaC10H21BN2O
Molecular Weight196.10 g/mol
Exact Mass196.17
IUPAC Name—
SMILES[B]C(C)N(C)CCN(C)C(=O)C(C)C
InChIInChI=1S/C10H21BN2O/c1-8(2)10(14)13(5)7-6-12(4)9(3)11/h8-9H,6-7H2,1-5H3
InChIKeyBZVYHRZHUFTPGA-UHFFFAOYSA-N
XLogP0.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.10
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-N-[2-[methyl(propanoyl)amino]ethyl]propanamide
CID 139308072
N-butyl-N,2-dimethylpropanamide
CID 21413636
N-(2-ethoxyethyl)-N,2-dimethylpropanamide
CID 11423854
N-[2-[ethylamino(methyl)amino]ethyl]-N,2-dimethylpropanamide
CID 170712401
N,2-dimethyl-N-(8-methylnonyl)propanamide
CID 161045695
N,2-dimethyl-N-(9-methyl-8-oxodecyl)propanamide
CID 176576878
N,2-dimethyl-N-(3-methyl-2-oxobutyl)propanamide
CID 58885009
N-[2-(dimethylamino)ethyl]-2-methoxy-N-methylpropanamide
CID 115674309
N-[2-(dimethylamino)ethyl]-2,2-difluoro-N-methylacetamide
CID 103515493
N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 146274345
N,2-dimethyl-N-(2-phenylethyl)propanamide
CID 22954091
N-[2-(dimethylamino)ethyl]-2-ethyl-N-methylbutanamide
CID 110481330

Frequently Asked Questions

What is the IUPAC name of CID 174138442?
The IUPAC name of CID 174138442 (CID 174138442) is not available.
What is the SMILES notation for CID 174138442?
The canonical SMILES for CID 174138442 is [B]C(C)N(C)CCN(C)C(=O)C(C)C.
What is the InChIKey of CID 174138442?
The InChIKey is BZVYHRZHUFTPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BN2O/c1-8(2)10(14)13(5)7-6-12(4)9(3)11/h8-9H,6-7H2,1-5H3.
What are the key properties of CID 174138442?
CID 174138442 has a molecular weight of 196.10 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174138442 is sourced from PubChem (CID 174138442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).