3,3-dimethylbutan-1-amine;hydroiodide

C6H16IN — CID 173144991

IUPAC3,3-dimethylbutan-1-amine;hydroiodide
SMILESCC(C)(C)CCN.I
InChIInChI=1S/C6H15N.HI/c1-6(2,3)4-5-7;/h4-5,7H2,1-3H3;1H
InChIKeyMLWAFTHWTDYFMM-UHFFFAOYSA-N
MW229.10 g/mol
LogP2.00
Rot. Bonds1

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

3,3-dimethylbutan-1-amine;hydroiodide (PubChem CID 173144991) has the molecular formula C6H16IN and a molecular weight of 229.10 g/mol. Its IUPAC name is 3,3-dimethylbutan-1-amine;hydroiodide.

Molecular Properties

Compound Name3,3-dimethylbutan-1-amine;hydroiodide
PubChem CID173144991
Molecular FormulaC6H16IN
Molecular Weight229.10 g/mol
Exact Mass229.03
IUPAC Name3,3-dimethylbutan-1-amine;hydroiodide
SMILESCC(C)(C)CCN.I
InChIInChI=1S/C6H15N.HI/c1-6(2,3)4-5-7;/h4-5,7H2,1-3H3;1H
InChIKeyMLWAFTHWTDYFMM-UHFFFAOYSA-N
XLogP2.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.10
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutan-1-amine;hydroiodide?
The IUPAC name of 3,3-dimethylbutan-1-amine;hydroiodide (CID 173144991) is 3,3-dimethylbutan-1-amine;hydroiodide.
What is the SMILES notation for 3,3-dimethylbutan-1-amine;hydroiodide?
The canonical SMILES for 3,3-dimethylbutan-1-amine;hydroiodide is CC(C)(C)CCN.I.
What is the InChIKey of 3,3-dimethylbutan-1-amine;hydroiodide?
The InChIKey is MLWAFTHWTDYFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.HI/c1-6(2,3)4-5-7;/h4-5,7H2,1-3H3;1H.
What are the key properties of 3,3-dimethylbutan-1-amine;hydroiodide?
3,3-dimethylbutan-1-amine;hydroiodide has a molecular weight of 229.10 g/mol, XLogP of 2.00, 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;hydroiodide is sourced from PubChem (CID 173144991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).