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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Related Compounds

3,3-dimethylbutan-1-amine;hydrobromide
CID 173119170
4,4-dimethylpentan-1-amine
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5,5-dimethylhexan-1-amine;hydrochloride
CID 143616686
18,18-dimethylnonadecan-1-amine
CID 53249240
12,12-dimethyltridecan-1-amine
CID 87103604
18,18-dimethylnonadecan-1-amine;hydrofluoride
CID 173042311
1,5-diamino-3-methylpentan-3-ol
CID 55289745
N-(3,3-dimethylbutyl)-2,2-dimethylbutane-1,4-diamine
CID 115204534
CID 160729242
CID 160729242
3-N,3-dimethylbutane-1,3-diamine
CID 89269662
4-amino-2,2-dimethylbutan-1-ol
CID 55253832
O-(4-amino-2-methylbutan-2-yl)hydroxylamine
CID 153346909

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).