3,3-dimethylbutan-1-amine;hydrobromide

C6H16BrN — CID 173119170

IUPAC3,3-dimethylbutan-1-amine;hydrobromide
SMILESBr.CC(C)(C)CCN
InChIInChI=1S/C6H15N.BrH/c1-6(2,3)4-5-7;/h4-5,7H2,1-3H3;1H
InChIKeyWPVBBOGQAXANTG-UHFFFAOYSA-N
MW182.10 g/mol
LogP1.96
Rot. Bonds1

About 3,3-dimethylbutan-1-amine;hydrobromide

3,3-dimethylbutan-1-amine;hydrobromide (PubChem CID 173119170) has the molecular formula C6H16BrN and a molecular weight of 182.10 g/mol. Its IUPAC name is 3,3-dimethylbutan-1-amine;hydrobromide.

Molecular Properties

Compound Name3,3-dimethylbutan-1-amine;hydrobromide
PubChem CID173119170
Molecular FormulaC6H16BrN
Molecular Weight182.10 g/mol
Exact Mass181.05
IUPAC Name3,3-dimethylbutan-1-amine;hydrobromide
SMILESBr.CC(C)(C)CCN
InChIInChI=1S/C6H15N.BrH/c1-6(2,3)4-5-7;/h4-5,7H2,1-3H3;1H
InChIKeyWPVBBOGQAXANTG-UHFFFAOYSA-N
XLogP1.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.10
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutan-1-amine;hydrobromide?
The IUPAC name of 3,3-dimethylbutan-1-amine;hydrobromide (CID 173119170) is 3,3-dimethylbutan-1-amine;hydrobromide.
What is the SMILES notation for 3,3-dimethylbutan-1-amine;hydrobromide?
The canonical SMILES for 3,3-dimethylbutan-1-amine;hydrobromide is Br.CC(C)(C)CCN.
What is the InChIKey of 3,3-dimethylbutan-1-amine;hydrobromide?
The InChIKey is WPVBBOGQAXANTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.BrH/c1-6(2,3)4-5-7;/h4-5,7H2,1-3H3;1H.
What are the key properties of 3,3-dimethylbutan-1-amine;hydrobromide?
3,3-dimethylbutan-1-amine;hydrobromide has a molecular weight of 182.10 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutan-1-amine;hydrobromide is sourced from PubChem (CID 173119170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).