CID 145278615

C8H10BN — CID 145278615

IUPAC—
SMILES[B]N(C)c1cccc(C)c1
InChIInChI=1S/C8H10BN/c1-7-4-3-5-8(6-7)10(2)9/h3-6H,1-2H3
InChIKeyIVQNVXWFPINEDM-UHFFFAOYSA-N
MW130.99 g/mol
LogP1.51
Rot. Bonds1

About CID 145278615

CID 145278615 (PubChem CID 145278615) has the molecular formula C8H10BN and a molecular weight of 130.99 g/mol.

Molecular Properties

Compound NameCID 145278615
PubChem CID145278615
Molecular FormulaC8H10BN
Molecular Weight130.99 g/mol
Exact Mass131.09
IUPAC Name—
SMILES[B]N(C)c1cccc(C)c1
InChIInChI=1S/C8H10BN/c1-7-4-3-5-8(6-7)10(2)9/h3-6H,1-2H3
InChIKeyIVQNVXWFPINEDM-UHFFFAOYSA-N
XLogP1.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.99
LogP ≤ 51.51
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 138691650
CID 138691650
CID 70331685
CID 70331685
1-N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N,4-N-tris(3-methylphenyl)benzene-1,4-diamine
CID 20734413
4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine
CID 163779490
N,3-dimethyl-N-(methylideneamino)aniline
CID 90709546
N-[(1Z)-buta-1,3-dienyl]-N,3-dimethylaniline
CID 172568637
1-N,1-N'-dimethyl-1-N,1-N'-bis(3-methylphenyl)prop-1-ene-1,1-diamine
CID 70524092
ethane;3-methyl-N,N-diphenylaniline
CID 145208007
methyl-(3-methylphenyl)sulfamic acid
CID 67996931
N-(3-methoxyphenyl)-N,3-dimethylaniline
CID 57317971
N-methyl-N-(3-methylphenyl)pyridin-4-amine
CID 89072633
N-(2-iodoethyl)-N,3-dimethylaniline
CID 130693336

Frequently Asked Questions

What is the IUPAC name of CID 145278615?
The IUPAC name of CID 145278615 (CID 145278615) is not available.
What is the SMILES notation for CID 145278615?
The canonical SMILES for CID 145278615 is [B]N(C)c1cccc(C)c1.
What is the InChIKey of CID 145278615?
The InChIKey is IVQNVXWFPINEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BN/c1-7-4-3-5-8(6-7)10(2)9/h3-6H,1-2H3.
What are the key properties of CID 145278615?
CID 145278615 has a molecular weight of 130.99 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145278615 is sourced from PubChem (CID 145278615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).