N-(2-iodopropan-2-yl)-3,3-dimethylbutan-1-amine

C9H20IN — CID 149320060

IUPACN-(2-iodopropan-2-yl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNC(C)(C)I
InChIInChI=1S/C9H20IN/c1-8(2,3)6-7-11-9(4,5)10/h11H,6-7H2,1-5H3
InChIKeyYAHCEIDGIWBLBU-UHFFFAOYSA-N
MW269.17 g/mol
LogP3.18
Rot. Bonds3

About N-(2-iodopropan-2-yl)-3,3-dimethylbutan-1-amine

N-(2-iodopropan-2-yl)-3,3-dimethylbutan-1-amine (PubChem CID 149320060) has the molecular formula C9H20IN and a molecular weight of 269.17 g/mol. Its IUPAC name is N-(2-iodopropan-2-yl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(2-iodopropan-2-yl)-3,3-dimethylbutan-1-amine
PubChem CID149320060
Molecular FormulaC9H20IN
Molecular Weight269.17 g/mol
Exact Mass269.06
IUPAC NameN-(2-iodopropan-2-yl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNC(C)(C)I
InChIInChI=1S/C9H20IN/c1-8(2,3)6-7-11-9(4,5)10/h11H,6-7H2,1-5H3
InChIKeyYAHCEIDGIWBLBU-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine
CID 171560888
N'-tert-butyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine
CID 88899076
N-(3-iodopropyl)-3,3-dimethylbutan-1-amine
CID 114503605
N-tert-butyl-3,3,7,7-tetramethyloctan-1-amine
CID 134314254
3,3-dimethyl-N-propan-2-ylbutan-1-amine;methane
CID 161005909
N-(3,3-dimethylbutyl)-3,3-dimethylpentan-1-amine
CID 170291391
N-(3,3-dimethylbutyl)-5-iodopyrimidin-2-amine
CID 104840124
2-(hydroxymethyl)-2-[(3-hydroxy-3-methylbutyl)amino]propane-1,3-diol
CID 107852406
3,3-dimethylbutan-1-amine;hydroiodide
CID 173144991
3,3-dimethylbutan-1-amine;hydrobromide
CID 173119170
methyl 2-(3,3-dimethylbutylamino)-2-(trifluoromethyl)butanoate
CID 87269651
N-[(3,3-dimethylbutylamino)methyl]formamide
CID 167581609

Frequently Asked Questions

What is the IUPAC name of N-(2-iodopropan-2-yl)-3,3-dimethylbutan-1-amine?
The IUPAC name of N-(2-iodopropan-2-yl)-3,3-dimethylbutan-1-amine (CID 149320060) is N-(2-iodopropan-2-yl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-(2-iodopropan-2-yl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-(2-iodopropan-2-yl)-3,3-dimethylbutan-1-amine is CC(C)(C)CCNC(C)(C)I.
What is the InChIKey of N-(2-iodopropan-2-yl)-3,3-dimethylbutan-1-amine?
The InChIKey is YAHCEIDGIWBLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20IN/c1-8(2,3)6-7-11-9(4,5)10/h11H,6-7H2,1-5H3.
What are the key properties of N-(2-iodopropan-2-yl)-3,3-dimethylbutan-1-amine?
N-(2-iodopropan-2-yl)-3,3-dimethylbutan-1-amine has a molecular weight of 269.17 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodopropan-2-yl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 149320060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).