CID 134904484

C10H16BN — CID 134904484

IUPAC—
SMILESCN(C)C.[B]Cc1ccccc1
InChIInChI=1S/C7H7B.C3H9N/c8-6-7-4-2-1-3-5-7;1-4(2)3/h1-5H,6H2;1-3H3
InChIKeyLLGPPOYMYVARIW-UHFFFAOYSA-N
MW161.06 g/mol
LogP1.53
Rot. Bonds1

About CID 134904484

CID 134904484 (PubChem CID 134904484) has the molecular formula C10H16BN and a molecular weight of 161.06 g/mol.

Molecular Properties

Compound NameCID 134904484
PubChem CID134904484
Molecular FormulaC10H16BN
Molecular Weight161.06 g/mol
Exact Mass161.14
IUPAC Name—
SMILESCN(C)C.[B]Cc1ccccc1
InChIInChI=1S/C7H7B.C3H9N/c8-6-7-4-2-1-3-5-7;1-4(2)3/h1-5H,6H2;1-3H3
InChIKeyLLGPPOYMYVARIW-UHFFFAOYSA-N
XLogP1.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.06
LogP ≤ 51.53
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

CID 91051906
CID 91051906
N,N-dimethyl-2-phenylethanamine;hydrazine
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ethylcyclodecapentaene
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sulfanium ethylbenzene
CID 22726309
ethane;ethylbenzene
CID 90887003
ethylbenzene;molybdenum
CID 161189179
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
N,N-dimethyl-1-phenylmethanamine;phosphane
CID 174524909
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351
CID 134889697
CID 134889697

Frequently Asked Questions

What is the IUPAC name of CID 134904484?
The IUPAC name of CID 134904484 (CID 134904484) is not available.
What is the SMILES notation for CID 134904484?
The canonical SMILES for CID 134904484 is CN(C)C.[B]Cc1ccccc1.
What is the InChIKey of CID 134904484?
The InChIKey is LLGPPOYMYVARIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7B.C3H9N/c8-6-7-4-2-1-3-5-7;1-4(2)3/h1-5H,6H2;1-3H3.
What are the key properties of CID 134904484?
CID 134904484 has a molecular weight of 161.06 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134904484 is sourced from PubChem (CID 134904484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).