(3R)-2-methoxy-4-methylpent-1-en-3-amine

C7H15NO — CID 118521566

IUPAC(3R)-2-methoxy-4-methylpent-1-en-3-amine
SMILESC=C(OC)[C@H](N)C(C)C
InChIInChI=1S/C7H15NO/c1-5(2)7(8)6(3)9-4/h5,7H,3,8H2,1-2,4H3/t7-/m1/s1
InChIKeyOWDNGQDWEKKVEX-SSDOTTSWSA-N
MW129.20 g/mol
LogP1.13
Rot. Bonds3

About (3R)-2-methoxy-4-methylpent-1-en-3-amine

(3R)-2-methoxy-4-methylpent-1-en-3-amine (PubChem CID 118521566) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (3R)-2-methoxy-4-methylpent-1-en-3-amine.

Molecular Properties

Compound Name(3R)-2-methoxy-4-methylpent-1-en-3-amine
PubChem CID118521566
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(3R)-2-methoxy-4-methylpent-1-en-3-amine
SMILESC=C(OC)[C@H](N)C(C)C
InChIInChI=1S/C7H15NO/c1-5(2)7(8)6(3)9-4/h5,7H,3,8H2,1-2,4H3/t7-/m1/s1
InChIKeyOWDNGQDWEKKVEX-SSDOTTSWSA-N
XLogP1.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (3R)-2-methoxy-4-methylpent-1-en-3-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 (3R)-2-methoxy-4-methylpent-1-en-3-amine?
The IUPAC name of (3R)-2-methoxy-4-methylpent-1-en-3-amine (CID 118521566) is (3R)-2-methoxy-4-methylpent-1-en-3-amine.
What is the SMILES notation for (3R)-2-methoxy-4-methylpent-1-en-3-amine?
The canonical SMILES for (3R)-2-methoxy-4-methylpent-1-en-3-amine is C=C(OC)[C@H](N)C(C)C.
What is the InChIKey of (3R)-2-methoxy-4-methylpent-1-en-3-amine?
The InChIKey is OWDNGQDWEKKVEX-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15NO/c1-5(2)7(8)6(3)9-4/h5,7H,3,8H2,1-2,4H3/t7-/m1/s1.
What are the key properties of (3R)-2-methoxy-4-methylpent-1-en-3-amine?
(3R)-2-methoxy-4-methylpent-1-en-3-amine has a molecular weight of 129.20 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-methoxy-4-methylpent-1-en-3-amine is sourced from PubChem (CID 118521566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).