(2S)-N,N,4,4-tetramethylpentan-2-amine

C9H21N — CID 118531531

IUPAC(2S)-N,N,4,4-tetramethylpentan-2-amine
SMILESC[C@@H](CC(C)(C)C)N(C)C
InChIInChI=1S/C9H21N/c1-8(10(5)6)7-9(2,3)4/h8H,7H2,1-6H3/t8-/m0/s1
InChIKeyCNEAUTUWUUJFNV-QMMMGPOBSA-N
MW143.27 g/mol
LogP2.37
Rot. Bonds2

About (2S)-N,N,4,4-tetramethylpentan-2-amine

(2S)-N,N,4,4-tetramethylpentan-2-amine (PubChem CID 118531531) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is (2S)-N,N,4,4-tetramethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-N,N,4,4-tetramethylpentan-2-amine
PubChem CID118531531
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name(2S)-N,N,4,4-tetramethylpentan-2-amine
SMILESC[C@@H](CC(C)(C)C)N(C)C
InChIInChI=1S/C9H21N/c1-8(10(5)6)7-9(2,3)4/h8H,7H2,1-6H3/t8-/m0/s1
InChIKeyCNEAUTUWUUJFNV-QMMMGPOBSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N,4,4-tetramethylpentan-2-amine?
The IUPAC name of (2S)-N,N,4,4-tetramethylpentan-2-amine (CID 118531531) is (2S)-N,N,4,4-tetramethylpentan-2-amine.
What is the SMILES notation for (2S)-N,N,4,4-tetramethylpentan-2-amine?
The canonical SMILES for (2S)-N,N,4,4-tetramethylpentan-2-amine is C[C@@H](CC(C)(C)C)N(C)C.
What is the InChIKey of (2S)-N,N,4,4-tetramethylpentan-2-amine?
The InChIKey is CNEAUTUWUUJFNV-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H21N/c1-8(10(5)6)7-9(2,3)4/h8H,7H2,1-6H3/t8-/m0/s1.
What are the key properties of (2S)-N,N,4,4-tetramethylpentan-2-amine?
(2S)-N,N,4,4-tetramethylpentan-2-amine has a molecular weight of 143.27 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N,4,4-tetramethylpentan-2-amine is sourced from PubChem (CID 118531531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).