1-(3-dimethylbismuthanyl-2-methylphenyl)-N,N-dimethylmethanamine

C12H20BiN — CID 87791895

IUPAC1-(3-dimethylbismuthanyl-2-methylphenyl)-N,N-dimethylmethanamine
SMILESCc1c(CN(C)C)cccc1[Bi](C)C
InChIInChI=1S/C10H14N.2CH3.Bi/c1-9-6-4-5-7-10(9)8-11(2)3;;;/h4-5,7H,8H2,1-3H3;2*1H3;
InChIKeyRXJMKLOXDUYMAS-UHFFFAOYSA-N
MW387.28 g/mol
LogP2.02
Rot. Bonds3

About 1-(3-dimethylbismuthanyl-2-methylphenyl)-N,N-dimethylmethanamine

1-(3-dimethylbismuthanyl-2-methylphenyl)-N,N-dimethylmethanamine (PubChem CID 87791895) has the molecular formula C12H20BiN and a molecular weight of 387.28 g/mol. Its IUPAC name is 1-(3-dimethylbismuthanyl-2-methylphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(3-dimethylbismuthanyl-2-methylphenyl)-N,N-dimethylmethanamine
PubChem CID87791895
Molecular FormulaC12H20BiN
Molecular Weight387.28 g/mol
Exact Mass387.14
IUPAC Name1-(3-dimethylbismuthanyl-2-methylphenyl)-N,N-dimethylmethanamine
SMILESCc1c(CN(C)C)cccc1[Bi](C)C
InChIInChI=1S/C10H14N.2CH3.Bi/c1-9-6-4-5-7-10(9)8-11(2)3;;;/h4-5,7H,8H2,1-3H3;2*1H3;
InChIKeyRXJMKLOXDUYMAS-UHFFFAOYSA-N
XLogP2.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-dimethylbismuthanyl-2-methylphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(3-dimethylbismuthanyl-2-methylphenyl)-N,N-dimethylmethanamine (CID 87791895) is 1-(3-dimethylbismuthanyl-2-methylphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(3-dimethylbismuthanyl-2-methylphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(3-dimethylbismuthanyl-2-methylphenyl)-N,N-dimethylmethanamine is Cc1c(CN(C)C)cccc1[Bi](C)C.
What is the InChIKey of 1-(3-dimethylbismuthanyl-2-methylphenyl)-N,N-dimethylmethanamine?
The InChIKey is RXJMKLOXDUYMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N.2CH3.Bi/c1-9-6-4-5-7-10(9)8-11(2)3;;;/h4-5,7H,8H2,1-3H3;2*1H3;.
What are the key properties of 1-(3-dimethylbismuthanyl-2-methylphenyl)-N,N-dimethylmethanamine?
1-(3-dimethylbismuthanyl-2-methylphenyl)-N,N-dimethylmethanamine has a molecular weight of 387.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-dimethylbismuthanyl-2-methylphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 87791895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).