2-[(2R)-butan-2-yl]-4,4-dimethylhexan-1-amine

C12H27N — CID 89354237

IUPAC2-[(2R)-butan-2-yl]-4,4-dimethylhexan-1-amine
SMILESCC[C@@H](C)C(CN)CC(C)(C)CC
InChIInChI=1S/C12H27N/c1-6-10(3)11(9-13)8-12(4,5)7-2/h10-11H,6-9,13H2,1-5H3/t10-,11?/m1/s1
InChIKeyANORUKWBKNTGKR-NFJWQWPMSA-N
MW185.35 g/mol
LogP3.43
Rot. Bonds6

About 2-[(2R)-butan-2-yl]-4,4-dimethylhexan-1-amine

2-[(2R)-butan-2-yl]-4,4-dimethylhexan-1-amine (PubChem CID 89354237) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 2-[(2R)-butan-2-yl]-4,4-dimethylhexan-1-amine.

Molecular Properties

Compound Name2-[(2R)-butan-2-yl]-4,4-dimethylhexan-1-amine
PubChem CID89354237
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name2-[(2R)-butan-2-yl]-4,4-dimethylhexan-1-amine
SMILESCC[C@@H](C)C(CN)CC(C)(C)CC
InChIInChI=1S/C12H27N/c1-6-10(3)11(9-13)8-12(4,5)7-2/h10-11H,6-9,13H2,1-5H3/t10-,11?/m1/s1
InChIKeyANORUKWBKNTGKR-NFJWQWPMSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,6,6-trimethyloctan-4-amine
CID 89008923
4,4-dimethyl-2-(2-methylbutan-2-yloxy)hexan-1-amine
CID 129042330
(4R)-3-ethyl-4-methylhexane
CID 59954491
3,6,6-trimethyl-4-propyldecane
CID 173296569
3,3,5,7-tetramethylnonane
CID 57490983
trimethyl(2,2,5,5-tetramethylheptan-3-yl)silane
CID 91235940
propan-2-yl 2-tert-butyl-4,4-dimethylhexanoate
CID 89367103
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
3,3-dimethylpentane;propane
CID 90942978
4-ethyl-2,6,6-trimethyloctane
CID 57491162

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-butan-2-yl]-4,4-dimethylhexan-1-amine?
The IUPAC name of 2-[(2R)-butan-2-yl]-4,4-dimethylhexan-1-amine (CID 89354237) is 2-[(2R)-butan-2-yl]-4,4-dimethylhexan-1-amine.
What is the SMILES notation for 2-[(2R)-butan-2-yl]-4,4-dimethylhexan-1-amine?
The canonical SMILES for 2-[(2R)-butan-2-yl]-4,4-dimethylhexan-1-amine is CC[C@@H](C)C(CN)CC(C)(C)CC.
What is the InChIKey of 2-[(2R)-butan-2-yl]-4,4-dimethylhexan-1-amine?
The InChIKey is ANORUKWBKNTGKR-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H27N/c1-6-10(3)11(9-13)8-12(4,5)7-2/h10-11H,6-9,13H2,1-5H3/t10-,11?/m1/s1.
What are the key properties of 2-[(2R)-butan-2-yl]-4,4-dimethylhexan-1-amine?
2-[(2R)-butan-2-yl]-4,4-dimethylhexan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-butan-2-yl]-4,4-dimethylhexan-1-amine is sourced from PubChem (CID 89354237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).