cyclopenta-1,3-dien-1-yl(diethyl)borane;N,N-dimethylmethanamine

C12H24BN — CID 135048996

IUPACcyclopenta-1,3-dien-1-yl(diethyl)borane;N,N-dimethylmethanamine
SMILESCCB(CC)C1=CC=CC1.CN(C)C
InChIInChI=1S/C9H15B.C3H9N/c1-3-10(4-2)9-7-5-6-8-9;1-4(2)3/h5-7H,3-4,8H2,1-2H3;1-3H3
InChIKeyODZFTMHYWPFKHD-UHFFFAOYSA-N
MW193.14 g/mol
LogP3.12
Rot. Bonds3

About cyclopenta-1,3-dien-1-yl(diethyl)borane;N,N-dimethylmethanamine

cyclopenta-1,3-dien-1-yl(diethyl)borane;N,N-dimethylmethanamine (PubChem CID 135048996) has the molecular formula C12H24BN and a molecular weight of 193.14 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yl(diethyl)borane;N,N-dimethylmethanamine.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yl(diethyl)borane;N,N-dimethylmethanamine
PubChem CID135048996
Molecular FormulaC12H24BN
Molecular Weight193.14 g/mol
Exact Mass193.20
IUPAC Namecyclopenta-1,3-dien-1-yl(diethyl)borane;N,N-dimethylmethanamine
SMILESCCB(CC)C1=CC=CC1.CN(C)C
InChIInChI=1S/C9H15B.C3H9N/c1-3-10(4-2)9-7-5-6-8-9;1-4(2)3/h5-7H,3-4,8H2,1-2H3;1-3H3
InChIKeyODZFTMHYWPFKHD-UHFFFAOYSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.14
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-yl(diethyl)borane;N,N-dimethylmethanamine?
The IUPAC name of cyclopenta-1,3-dien-1-yl(diethyl)borane;N,N-dimethylmethanamine (CID 135048996) is cyclopenta-1,3-dien-1-yl(diethyl)borane;N,N-dimethylmethanamine.
What is the SMILES notation for cyclopenta-1,3-dien-1-yl(diethyl)borane;N,N-dimethylmethanamine?
The canonical SMILES for cyclopenta-1,3-dien-1-yl(diethyl)borane;N,N-dimethylmethanamine is CCB(CC)C1=CC=CC1.CN(C)C.
What is the InChIKey of cyclopenta-1,3-dien-1-yl(diethyl)borane;N,N-dimethylmethanamine?
The InChIKey is ODZFTMHYWPFKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15B.C3H9N/c1-3-10(4-2)9-7-5-6-8-9;1-4(2)3/h5-7H,3-4,8H2,1-2H3;1-3H3.
What are the key properties of cyclopenta-1,3-dien-1-yl(diethyl)borane;N,N-dimethylmethanamine?
cyclopenta-1,3-dien-1-yl(diethyl)borane;N,N-dimethylmethanamine has a molecular weight of 193.14 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-yl(diethyl)borane;N,N-dimethylmethanamine is sourced from PubChem (CID 135048996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).