borinine;butan-1-amine

C9H16BN — CID 174871630

IUPACborinine;butan-1-amine
SMILESCCCCN.b1ccccc1
InChIInChI=1S/C5H5B.C4H11N/c1-2-4-6-5-3-1;1-2-3-4-5/h1-5H;2-5H2,1H3
InChIKeySEHPYOZWDWRYHX-UHFFFAOYSA-N
MW149.05 g/mol
LogP1.77
Rot. Bonds2

About borinine;butan-1-amine

borinine;butan-1-amine (PubChem CID 174871630) has the molecular formula C9H16BN and a molecular weight of 149.05 g/mol. Its IUPAC name is borinine;butan-1-amine.

Molecular Properties

Compound Nameborinine;butan-1-amine
PubChem CID174871630
Molecular FormulaC9H16BN
Molecular Weight149.05 g/mol
Exact Mass149.14
IUPAC Nameborinine;butan-1-amine
SMILESCCCCN.b1ccccc1
InChIInChI=1S/C5H5B.C4H11N/c1-2-4-6-5-3-1;1-2-3-4-5/h1-5H;2-5H2,1H3
InChIKeySEHPYOZWDWRYHX-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.05
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of borinine;butan-1-amine?
The IUPAC name of borinine;butan-1-amine (CID 174871630) is borinine;butan-1-amine.
What is the SMILES notation for borinine;butan-1-amine?
The canonical SMILES for borinine;butan-1-amine is CCCCN.b1ccccc1.
What is the InChIKey of borinine;butan-1-amine?
The InChIKey is SEHPYOZWDWRYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5B.C4H11N/c1-2-4-6-5-3-1;1-2-3-4-5/h1-5H;2-5H2,1H3.
What are the key properties of borinine;butan-1-amine?
borinine;butan-1-amine has a molecular weight of 149.05 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for borinine;butan-1-amine is sourced from PubChem (CID 174871630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).