borinine;2,3,4-trimethylpentan-3-amine

C13H24BN — CID 174702045

IUPACborinine;2,3,4-trimethylpentan-3-amine
SMILESCC(C)C(C)(N)C(C)C.b1ccccc1
InChIInChI=1S/C8H19N.C5H5B/c1-6(2)8(5,9)7(3)4;1-2-4-6-5-3-1/h6-7H,9H2,1-5H3;1-5H
InChIKeyDQFMCYXTNPCODG-UHFFFAOYSA-N
MW205.15 g/mol
LogP3.04
Rot. Bonds2

About borinine;2,3,4-trimethylpentan-3-amine

borinine;2,3,4-trimethylpentan-3-amine (PubChem CID 174702045) has the molecular formula C13H24BN and a molecular weight of 205.15 g/mol. Its IUPAC name is borinine;2,3,4-trimethylpentan-3-amine.

Molecular Properties

Compound Nameborinine;2,3,4-trimethylpentan-3-amine
PubChem CID174702045
Molecular FormulaC13H24BN
Molecular Weight205.15 g/mol
Exact Mass205.20
IUPAC Nameborinine;2,3,4-trimethylpentan-3-amine
SMILESCC(C)C(C)(N)C(C)C.b1ccccc1
InChIInChI=1S/C8H19N.C5H5B/c1-6(2)8(5,9)7(3)4;1-2-4-6-5-3-1/h6-7H,9H2,1-5H3;1-5H
InChIKeyDQFMCYXTNPCODG-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.15
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of borinine;2,3,4-trimethylpentan-3-amine?
The IUPAC name of borinine;2,3,4-trimethylpentan-3-amine (CID 174702045) is borinine;2,3,4-trimethylpentan-3-amine.
What is the SMILES notation for borinine;2,3,4-trimethylpentan-3-amine?
The canonical SMILES for borinine;2,3,4-trimethylpentan-3-amine is CC(C)C(C)(N)C(C)C.b1ccccc1.
What is the InChIKey of borinine;2,3,4-trimethylpentan-3-amine?
The InChIKey is DQFMCYXTNPCODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C5H5B/c1-6(2)8(5,9)7(3)4;1-2-4-6-5-3-1/h6-7H,9H2,1-5H3;1-5H.
What are the key properties of borinine;2,3,4-trimethylpentan-3-amine?
borinine;2,3,4-trimethylpentan-3-amine has a molecular weight of 205.15 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for borinine;2,3,4-trimethylpentan-3-amine is sourced from PubChem (CID 174702045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).