(2S)-N-ethyl-2-methoxy-N,3-dimethylpentan-3-amine

C10H23NO — CID 146347194

IUPAC(2S)-N-ethyl-2-methoxy-N,3-dimethylpentan-3-amine
SMILESCCN(C)C(C)(CC)[C@H](C)OC
InChIInChI=1S/C10H23NO/c1-7-10(4,9(3)12-6)11(5)8-2/h9H,7-8H2,1-6H3/t9-,10?/m0/s1
InChIKeyMYEZZFVJMHPWFA-RGURZIINSA-N
MW173.30 g/mol
LogP2.14
Rot. Bonds5

About (2S)-N-ethyl-2-methoxy-N,3-dimethylpentan-3-amine

(2S)-N-ethyl-2-methoxy-N,3-dimethylpentan-3-amine (PubChem CID 146347194) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is (2S)-N-ethyl-2-methoxy-N,3-dimethylpentan-3-amine.

Molecular Properties

Compound Name(2S)-N-ethyl-2-methoxy-N,3-dimethylpentan-3-amine
PubChem CID146347194
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name(2S)-N-ethyl-2-methoxy-N,3-dimethylpentan-3-amine
SMILESCCN(C)C(C)(CC)[C@H](C)OC
InChIInChI=1S/C10H23NO/c1-7-10(4,9(3)12-6)11(5)8-2/h9H,7-8H2,1-6H3/t9-,10?/m0/s1
InChIKeyMYEZZFVJMHPWFA-RGURZIINSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-methoxy-N,3-dimethylpentan-3-amine?
The IUPAC name of (2S)-N-ethyl-2-methoxy-N,3-dimethylpentan-3-amine (CID 146347194) is (2S)-N-ethyl-2-methoxy-N,3-dimethylpentan-3-amine.
What is the SMILES notation for (2S)-N-ethyl-2-methoxy-N,3-dimethylpentan-3-amine?
The canonical SMILES for (2S)-N-ethyl-2-methoxy-N,3-dimethylpentan-3-amine is CCN(C)C(C)(CC)[C@H](C)OC.
What is the InChIKey of (2S)-N-ethyl-2-methoxy-N,3-dimethylpentan-3-amine?
The InChIKey is MYEZZFVJMHPWFA-RGURZIINSA-N. The full InChI is InChI=1S/C10H23NO/c1-7-10(4,9(3)12-6)11(5)8-2/h9H,7-8H2,1-6H3/t9-,10?/m0/s1.
What are the key properties of (2S)-N-ethyl-2-methoxy-N,3-dimethylpentan-3-amine?
(2S)-N-ethyl-2-methoxy-N,3-dimethylpentan-3-amine has a molecular weight of 173.30 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-methoxy-N,3-dimethylpentan-3-amine is sourced from PubChem (CID 146347194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).