(2S)-1-methoxy-N,4-dimethylpentan-2-amine

C8H19NO — CID 13140130

IUPAC(2S)-1-methoxy-N,4-dimethylpentan-2-amine
SMILESCN[C@H](COC)CC(C)C
InChIInChI=1S/C8H19NO/c1-7(2)5-8(9-3)6-10-4/h7-9H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyWUGUUPDSMYJEAA-QMMMGPOBSA-N
MW145.25 g/mol
LogP1.27
Rot. Bonds5

About (2S)-1-methoxy-N,4-dimethylpentan-2-amine

(2S)-1-methoxy-N,4-dimethylpentan-2-amine (PubChem CID 13140130) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is (2S)-1-methoxy-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-methoxy-N,4-dimethylpentan-2-amine
PubChem CID13140130
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name(2S)-1-methoxy-N,4-dimethylpentan-2-amine
SMILESCN[C@H](COC)CC(C)C
InChIInChI=1S/C8H19NO/c1-7(2)5-8(9-3)6-10-4/h7-9H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyWUGUUPDSMYJEAA-QMMMGPOBSA-N
XLogP1.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methoxy-N,4-dimethylpentan-2-amine?
The IUPAC name of (2S)-1-methoxy-N,4-dimethylpentan-2-amine (CID 13140130) is (2S)-1-methoxy-N,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S)-1-methoxy-N,4-dimethylpentan-2-amine?
The canonical SMILES for (2S)-1-methoxy-N,4-dimethylpentan-2-amine is CN[C@H](COC)CC(C)C.
What is the InChIKey of (2S)-1-methoxy-N,4-dimethylpentan-2-amine?
The InChIKey is WUGUUPDSMYJEAA-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19NO/c1-7(2)5-8(9-3)6-10-4/h7-9H,5-6H2,1-4H3/t8-/m0/s1.
What are the key properties of (2S)-1-methoxy-N,4-dimethylpentan-2-amine?
(2S)-1-methoxy-N,4-dimethylpentan-2-amine has a molecular weight of 145.25 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxy-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 13140130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).