2-methoxy-N,2-dimethylhex-5-en-3-amine

C9H19NO — CID 79197791

IUPAC2-methoxy-N,2-dimethylhex-5-en-3-amine
SMILESC=CCC(NC)C(C)(C)OC
InChIInChI=1S/C9H19NO/c1-6-7-8(10-4)9(2,3)11-5/h6,8,10H,1,7H2,2-5H3
InChIKeyACXYZLVCOCOMFV-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.58
Rot. Bonds5

About 2-methoxy-N,2-dimethylhex-5-en-3-amine

2-methoxy-N,2-dimethylhex-5-en-3-amine (PubChem CID 79197791) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-methoxy-N,2-dimethylhex-5-en-3-amine.

Molecular Properties

Compound Name2-methoxy-N,2-dimethylhex-5-en-3-amine
PubChem CID79197791
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-methoxy-N,2-dimethylhex-5-en-3-amine
SMILESC=CCC(NC)C(C)(C)OC
InChIInChI=1S/C9H19NO/c1-6-7-8(10-4)9(2,3)11-5/h6,8,10H,1,7H2,2-5H3
InChIKeyACXYZLVCOCOMFV-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,2-dimethylhex-5-en-3-amine?
The IUPAC name of 2-methoxy-N,2-dimethylhex-5-en-3-amine (CID 79197791) is 2-methoxy-N,2-dimethylhex-5-en-3-amine.
What is the SMILES notation for 2-methoxy-N,2-dimethylhex-5-en-3-amine?
The canonical SMILES for 2-methoxy-N,2-dimethylhex-5-en-3-amine is C=CCC(NC)C(C)(C)OC.
What is the InChIKey of 2-methoxy-N,2-dimethylhex-5-en-3-amine?
The InChIKey is ACXYZLVCOCOMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-6-7-8(10-4)9(2,3)11-5/h6,8,10H,1,7H2,2-5H3.
What are the key properties of 2-methoxy-N,2-dimethylhex-5-en-3-amine?
2-methoxy-N,2-dimethylhex-5-en-3-amine has a molecular weight of 157.26 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,2-dimethylhex-5-en-3-amine is sourced from PubChem (CID 79197791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).