(3R)-3-[ethyl(methyl)boranyl]-3-methylpentan-1-amine

C9H22BN — CID 163599046

IUPAC(3R)-3-[ethyl(methyl)boranyl]-3-methylpentan-1-amine
SMILESCCB(C)[C@@](C)(CC)CCN
InChIInChI=1S/C9H22BN/c1-5-9(3,7-8-11)10(4)6-2/h5-8,11H2,1-4H3/t9-/m0/s1
InChIKeyGWAHETPPBFNACR-VIFPVBQESA-N
MW155.09 g/mol
LogP2.65
Rot. Bonds5

About (3R)-3-[ethyl(methyl)boranyl]-3-methylpentan-1-amine

(3R)-3-[ethyl(methyl)boranyl]-3-methylpentan-1-amine (PubChem CID 163599046) has the molecular formula C9H22BN and a molecular weight of 155.09 g/mol. Its IUPAC name is (3R)-3-[ethyl(methyl)boranyl]-3-methylpentan-1-amine.

Molecular Properties

Compound Name(3R)-3-[ethyl(methyl)boranyl]-3-methylpentan-1-amine
PubChem CID163599046
Molecular FormulaC9H22BN
Molecular Weight155.09 g/mol
Exact Mass155.18
IUPAC Name(3R)-3-[ethyl(methyl)boranyl]-3-methylpentan-1-amine
SMILESCCB(C)[C@@](C)(CC)CCN
InChIInChI=1S/C9H22BN/c1-5-9(3,7-8-11)10(4)6-2/h5-8,11H2,1-4H3/t9-/m0/s1
InChIKeyGWAHETPPBFNACR-VIFPVBQESA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.09
LogP ≤ 52.65
H-Bond Donors ≤ 51
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 (3R)-3-[ethyl(methyl)boranyl]-3-methylpentan-1-amine?
The IUPAC name of (3R)-3-[ethyl(methyl)boranyl]-3-methylpentan-1-amine (CID 163599046) is (3R)-3-[ethyl(methyl)boranyl]-3-methylpentan-1-amine.
What is the SMILES notation for (3R)-3-[ethyl(methyl)boranyl]-3-methylpentan-1-amine?
The canonical SMILES for (3R)-3-[ethyl(methyl)boranyl]-3-methylpentan-1-amine is CCB(C)[C@@](C)(CC)CCN.
What is the InChIKey of (3R)-3-[ethyl(methyl)boranyl]-3-methylpentan-1-amine?
The InChIKey is GWAHETPPBFNACR-VIFPVBQESA-N. The full InChI is InChI=1S/C9H22BN/c1-5-9(3,7-8-11)10(4)6-2/h5-8,11H2,1-4H3/t9-/m0/s1.
What are the key properties of (3R)-3-[ethyl(methyl)boranyl]-3-methylpentan-1-amine?
(3R)-3-[ethyl(methyl)boranyl]-3-methylpentan-1-amine has a molecular weight of 155.09 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[ethyl(methyl)boranyl]-3-methylpentan-1-amine is sourced from PubChem (CID 163599046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).