3,4-diethylborinin-2-amine

C9H14BN — CID 174519135

IUPAC3,4-diethylborinin-2-amine
SMILESCCc1ccbc(N)c1CC
InChIInChI=1S/C9H14BN/c1-3-7-5-6-10-9(11)8(7)4-2/h5-6H,3-4,11H2,1-2H3
InChIKeyDWPNVRVIZBFERC-UHFFFAOYSA-N
MW147.03 g/mol
LogP1.73
Rot. Bonds2

About 3,4-diethylborinin-2-amine

3,4-diethylborinin-2-amine (PubChem CID 174519135) has the molecular formula C9H14BN and a molecular weight of 147.03 g/mol. Its IUPAC name is 3,4-diethylborinin-2-amine.

Molecular Properties

Compound Name3,4-diethylborinin-2-amine
PubChem CID174519135
Molecular FormulaC9H14BN
Molecular Weight147.03 g/mol
Exact Mass147.12
IUPAC Name3,4-diethylborinin-2-amine
SMILESCCc1ccbc(N)c1CC
InChIInChI=1S/C9H14BN/c1-3-7-5-6-10-9(11)8(7)4-2/h5-6H,3-4,11H2,1-2H3
InChIKeyDWPNVRVIZBFERC-UHFFFAOYSA-N
XLogP1.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.03
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethylborinin-2-amine?
The IUPAC name of 3,4-diethylborinin-2-amine (CID 174519135) is 3,4-diethylborinin-2-amine.
What is the SMILES notation for 3,4-diethylborinin-2-amine?
The canonical SMILES for 3,4-diethylborinin-2-amine is CCc1ccbc(N)c1CC.
What is the InChIKey of 3,4-diethylborinin-2-amine?
The InChIKey is DWPNVRVIZBFERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BN/c1-3-7-5-6-10-9(11)8(7)4-2/h5-6H,3-4,11H2,1-2H3.
What are the key properties of 3,4-diethylborinin-2-amine?
3,4-diethylborinin-2-amine has a molecular weight of 147.03 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethylborinin-2-amine is sourced from PubChem (CID 174519135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).