(2S)-4-methyl-1-(2-methylprop-2-enoxy)pentan-2-amine

C10H21NO — CID 58738316

IUPAC(2S)-4-methyl-1-(2-methylprop-2-enoxy)pentan-2-amine
SMILESC=C(C)COC[C@@H](N)CC(C)C
InChIInChI=1S/C10H21NO/c1-8(2)5-10(11)7-12-6-9(3)4/h8,10H,3,5-7,11H2,1-2,4H3/t10-/m0/s1
InChIKeyUECKDTNJEKHBKF-JTQLQIEISA-N
MW171.28 g/mol
LogP1.95
Rot. Bonds6

About (2S)-4-methyl-1-(2-methylprop-2-enoxy)pentan-2-amine

(2S)-4-methyl-1-(2-methylprop-2-enoxy)pentan-2-amine (PubChem CID 58738316) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2S)-4-methyl-1-(2-methylprop-2-enoxy)pentan-2-amine.

Molecular Properties

Compound Name(2S)-4-methyl-1-(2-methylprop-2-enoxy)pentan-2-amine
PubChem CID58738316
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2S)-4-methyl-1-(2-methylprop-2-enoxy)pentan-2-amine
SMILESC=C(C)COC[C@@H](N)CC(C)C
InChIInChI=1S/C10H21NO/c1-8(2)5-10(11)7-12-6-9(3)4/h8,10H,3,5-7,11H2,1-2,4H3/t10-/m0/s1
InChIKeyUECKDTNJEKHBKF-JTQLQIEISA-N
XLogP1.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-4-methyl-1-(2-methylprop-2-enoxy)pentan-2-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-methyl-1-(2-methylprop-2-enoxy)pentan-2-amine?
The IUPAC name of (2S)-4-methyl-1-(2-methylprop-2-enoxy)pentan-2-amine (CID 58738316) is (2S)-4-methyl-1-(2-methylprop-2-enoxy)pentan-2-amine.
What is the SMILES notation for (2S)-4-methyl-1-(2-methylprop-2-enoxy)pentan-2-amine?
The canonical SMILES for (2S)-4-methyl-1-(2-methylprop-2-enoxy)pentan-2-amine is C=C(C)COC[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-4-methyl-1-(2-methylprop-2-enoxy)pentan-2-amine?
The InChIKey is UECKDTNJEKHBKF-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)5-10(11)7-12-6-9(3)4/h8,10H,3,5-7,11H2,1-2,4H3/t10-/m0/s1.
What are the key properties of (2S)-4-methyl-1-(2-methylprop-2-enoxy)pentan-2-amine?
(2S)-4-methyl-1-(2-methylprop-2-enoxy)pentan-2-amine has a molecular weight of 171.28 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-1-(2-methylprop-2-enoxy)pentan-2-amine is sourced from PubChem (CID 58738316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).