N,2,3-trimethyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine

C12H27N — CID 158159432

IUPACN,2,3-trimethyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine
SMILESCC(C)[C@H](C)N(C)C(C)(C)C(C)C
InChIInChI=1S/C12H27N/c1-9(2)11(5)13(8)12(6,7)10(3)4/h9-11H,1-8H3/t11-/m0/s1
InChIKeyUDSKICUYZISRNQ-NSHDSACASA-N
MW185.35 g/mol
LogP3.40
Rot. Bonds4

About N,2,3-trimethyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine

N,2,3-trimethyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine (PubChem CID 158159432) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N,2,3-trimethyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine.

Molecular Properties

Compound NameN,2,3-trimethyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine
PubChem CID158159432
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN,2,3-trimethyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine
SMILESCC(C)[C@H](C)N(C)C(C)(C)C(C)C
InChIInChI=1S/C12H27N/c1-9(2)11(5)13(8)12(6,7)10(3)4/h9-11H,1-8H3/t11-/m0/s1
InChIKeyUDSKICUYZISRNQ-NSHDSACASA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine?
The IUPAC name of N,2,3-trimethyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine (CID 158159432) is N,2,3-trimethyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine.
What is the SMILES notation for N,2,3-trimethyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine?
The canonical SMILES for N,2,3-trimethyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine is CC(C)[C@H](C)N(C)C(C)(C)C(C)C.
What is the InChIKey of N,2,3-trimethyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine?
The InChIKey is UDSKICUYZISRNQ-NSHDSACASA-N. The full InChI is InChI=1S/C12H27N/c1-9(2)11(5)13(8)12(6,7)10(3)4/h9-11H,1-8H3/t11-/m0/s1.
What are the key properties of N,2,3-trimethyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine?
N,2,3-trimethyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine has a molecular weight of 185.35 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-N-[(2S)-3-methylbutan-2-yl]butan-2-amine is sourced from PubChem (CID 158159432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).