2-(2-butan-2-ylcyclopropyl)-3,3,4,4-tetramethylpentan-2-amine

C16H33N — CID 163602865

IUPAC2-(2-butan-2-ylcyclopropyl)-3,3,4,4-tetramethylpentan-2-amine
SMILESCCC(C)C1CC1C(C)(N)C(C)(C)C(C)(C)C
InChIInChI=1S/C16H33N/c1-9-11(2)12-10-13(12)16(8,17)15(6,7)14(3,4)5/h11-13H,9-10,17H2,1-8H3
InChIKeyGZEJGCYDXLILMX-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.46
Rot. Bonds4

About 2-(2-butan-2-ylcyclopropyl)-3,3,4,4-tetramethylpentan-2-amine

2-(2-butan-2-ylcyclopropyl)-3,3,4,4-tetramethylpentan-2-amine (PubChem CID 163602865) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 2-(2-butan-2-ylcyclopropyl)-3,3,4,4-tetramethylpentan-2-amine.

Molecular Properties

Compound Name2-(2-butan-2-ylcyclopropyl)-3,3,4,4-tetramethylpentan-2-amine
PubChem CID163602865
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name2-(2-butan-2-ylcyclopropyl)-3,3,4,4-tetramethylpentan-2-amine
SMILESCCC(C)C1CC1C(C)(N)C(C)(C)C(C)(C)C
InChIInChI=1S/C16H33N/c1-9-11(2)12-10-13(12)16(8,17)15(6,7)14(3,4)5/h11-13H,9-10,17H2,1-8H3
InChIKeyGZEJGCYDXLILMX-UHFFFAOYSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-butan-2-yl-2,4-ditert-butyl-5-methylcyclohexane
CID 144658339
2-(2-tert-butylcyclopropyl)propan-1-amine
CID 84650286
2-butan-2-yl-4,5-dimethylcyclohexan-1-ol
CID 58534205
(2R)-2-butan-2-ylcyclopropane-1-thiol
CID 89002970
[(1S,2S)-2-butan-2-ylcyclohexyl]methanamine
CID 167231134
trans-(1R,2S)-2-butan-2-ylcyclohexan-1-amine
CID 22853538
2-butan-2-yl-4-propan-2-ylcyclohexan-1-ol
CID 79423802
2-(2-butan-2-ylcyclopropyl)ethanol
CID 123287360
4-[2-(2-amino-2-methylpropyl)-5-tert-butyl-4-ethylcyclohexyl]-2-methylpentan-2-amine
CID 155007159
1-butan-2-yl-2-(3-methylbutan-2-yl)cyclobutane
CID 90723847
1-butan-2-yl-2-pentan-3-ylcyclopentane
CID 123672278
2-butan-2-ylcycloheptan-1-ol
CID 23148884

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylcyclopropyl)-3,3,4,4-tetramethylpentan-2-amine?
The IUPAC name of 2-(2-butan-2-ylcyclopropyl)-3,3,4,4-tetramethylpentan-2-amine (CID 163602865) is 2-(2-butan-2-ylcyclopropyl)-3,3,4,4-tetramethylpentan-2-amine.
What is the SMILES notation for 2-(2-butan-2-ylcyclopropyl)-3,3,4,4-tetramethylpentan-2-amine?
The canonical SMILES for 2-(2-butan-2-ylcyclopropyl)-3,3,4,4-tetramethylpentan-2-amine is CCC(C)C1CC1C(C)(N)C(C)(C)C(C)(C)C.
What is the InChIKey of 2-(2-butan-2-ylcyclopropyl)-3,3,4,4-tetramethylpentan-2-amine?
The InChIKey is GZEJGCYDXLILMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-9-11(2)12-10-13(12)16(8,17)15(6,7)14(3,4)5/h11-13H,9-10,17H2,1-8H3.
What are the key properties of 2-(2-butan-2-ylcyclopropyl)-3,3,4,4-tetramethylpentan-2-amine?
2-(2-butan-2-ylcyclopropyl)-3,3,4,4-tetramethylpentan-2-amine has a molecular weight of 239.45 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylcyclopropyl)-3,3,4,4-tetramethylpentan-2-amine is sourced from PubChem (CID 163602865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).