(2S)-3-methyl-1-prop-2-enoxybutan-2-amine

C8H17NO — CID 58360494

IUPAC(2S)-3-methyl-1-prop-2-enoxybutan-2-amine
SMILESC=CCOC[C@@H](N)C(C)C
InChIInChI=1S/C8H17NO/c1-4-5-10-6-8(9)7(2)3/h4,7-8H,1,5-6,9H2,2-3H3/t8-/m1/s1
InChIKeyOCPXVDYUUXFZPT-MRVPVSSYSA-N
MW143.23 g/mol
LogP1.17
Rot. Bonds5

About (2S)-3-methyl-1-prop-2-enoxybutan-2-amine

(2S)-3-methyl-1-prop-2-enoxybutan-2-amine (PubChem CID 58360494) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2S)-3-methyl-1-prop-2-enoxybutan-2-amine.

Molecular Properties

Compound Name(2S)-3-methyl-1-prop-2-enoxybutan-2-amine
PubChem CID58360494
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2S)-3-methyl-1-prop-2-enoxybutan-2-amine
SMILESC=CCOC[C@@H](N)C(C)C
InChIInChI=1S/C8H17NO/c1-4-5-10-6-8(9)7(2)3/h4,7-8H,1,5-6,9H2,2-3H3/t8-/m1/s1
InChIKeyOCPXVDYUUXFZPT-MRVPVSSYSA-N
XLogP1.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-1-prop-2-enoxybutan-2-amine?
The IUPAC name of (2S)-3-methyl-1-prop-2-enoxybutan-2-amine (CID 58360494) is (2S)-3-methyl-1-prop-2-enoxybutan-2-amine.
What is the SMILES notation for (2S)-3-methyl-1-prop-2-enoxybutan-2-amine?
The canonical SMILES for (2S)-3-methyl-1-prop-2-enoxybutan-2-amine is C=CCOC[C@@H](N)C(C)C.
What is the InChIKey of (2S)-3-methyl-1-prop-2-enoxybutan-2-amine?
The InChIKey is OCPXVDYUUXFZPT-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-5-10-6-8(9)7(2)3/h4,7-8H,1,5-6,9H2,2-3H3/t8-/m1/s1.
What are the key properties of (2S)-3-methyl-1-prop-2-enoxybutan-2-amine?
(2S)-3-methyl-1-prop-2-enoxybutan-2-amine has a molecular weight of 143.23 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-1-prop-2-enoxybutan-2-amine is sourced from PubChem (CID 58360494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).