(2S)-3,3-dimethylbutan-2-amine

C6H15N — CID 7004913

IUPAC(2S)-3,3-dimethylbutan-2-amine
SMILESC[C@H](N)C(C)(C)C
InChIInChI=1S/C6H15N/c1-5(7)6(2,3)4/h5H,7H2,1-4H3/t5-/m0/s1
InChIKeyDXSUORGKJZADET-YFKPBYRVSA-N
MW101.19 g/mol
LogP1.38
Rot. Bonds

About (2S)-3,3-dimethylbutan-2-amine

(2S)-3,3-dimethylbutan-2-amine (PubChem CID 7004913) has the molecular formula C6H15N and a molecular weight of 101.19 g/mol. Its IUPAC name is (2S)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name(2S)-3,3-dimethylbutan-2-amine
PubChem CID7004913
Molecular FormulaC6H15N
Molecular Weight101.19 g/mol
Exact Mass101.12
IUPAC Name(2S)-3,3-dimethylbutan-2-amine
SMILESC[C@H](N)C(C)(C)C
InChIInChI=1S/C6H15N/c1-5(7)6(2,3)4/h5H,7H2,1-4H3/t5-/m0/s1
InChIKeyDXSUORGKJZADET-YFKPBYRVSA-N
XLogP1.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.19
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dimethylbutan-2-amine?
The IUPAC name of (2S)-3,3-dimethylbutan-2-amine (CID 7004913) is (2S)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for (2S)-3,3-dimethylbutan-2-amine?
The canonical SMILES for (2S)-3,3-dimethylbutan-2-amine is C[C@H](N)C(C)(C)C.
What is the InChIKey of (2S)-3,3-dimethylbutan-2-amine?
The InChIKey is DXSUORGKJZADET-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H15N/c1-5(7)6(2,3)4/h5H,7H2,1-4H3/t5-/m0/s1.
What are the key properties of (2S)-3,3-dimethylbutan-2-amine?
(2S)-3,3-dimethylbutan-2-amine has a molecular weight of 101.19 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 7004913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).