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

C9H21NO — CID 58246831

IUPAC(2S)-4-methoxy-N,2,4-trimethylpentan-1-amine
SMILESCNC[C@@H](C)CC(C)(C)OC
InChIInChI=1S/C9H21NO/c1-8(7-10-4)6-9(2,3)11-5/h8,10H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyDNWNWHMIGIMOBC-QMMMGPOBSA-N
MW159.27 g/mol
LogP1.66
Rot. Bonds5

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

(2S)-4-methoxy-N,2,4-trimethylpentan-1-amine (PubChem CID 58246831) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (2S)-4-methoxy-N,2,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name(2S)-4-methoxy-N,2,4-trimethylpentan-1-amine
PubChem CID58246831
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(2S)-4-methoxy-N,2,4-trimethylpentan-1-amine
SMILESCNC[C@@H](C)CC(C)(C)OC
InChIInChI=1S/C9H21NO/c1-8(7-10-4)6-9(2,3)11-5/h8,10H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyDNWNWHMIGIMOBC-QMMMGPOBSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-4-methoxy-N,2,4-trimethylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methoxy-N,2,4-trimethylpentan-1-amine?
The IUPAC name of (2S)-4-methoxy-N,2,4-trimethylpentan-1-amine (CID 58246831) is (2S)-4-methoxy-N,2,4-trimethylpentan-1-amine.
What is the SMILES notation for (2S)-4-methoxy-N,2,4-trimethylpentan-1-amine?
The canonical SMILES for (2S)-4-methoxy-N,2,4-trimethylpentan-1-amine is CNC[C@@H](C)CC(C)(C)OC.
What is the InChIKey of (2S)-4-methoxy-N,2,4-trimethylpentan-1-amine?
The InChIKey is DNWNWHMIGIMOBC-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H21NO/c1-8(7-10-4)6-9(2,3)11-5/h8,10H,6-7H2,1-5H3/t8-/m0/s1.
What are the key properties of (2S)-4-methoxy-N,2,4-trimethylpentan-1-amine?
(2S)-4-methoxy-N,2,4-trimethylpentan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methoxy-N,2,4-trimethylpentan-1-amine is sourced from PubChem (CID 58246831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).