5-methoxy-5-methylhex-1-en-3-amine

C8H17NO — CID 103028038

IUPAC5-methoxy-5-methylhex-1-en-3-amine
SMILESC=CC(N)CC(C)(C)OC
InChIInChI=1S/C8H17NO/c1-5-7(9)6-8(2,3)10-4/h5,7H,1,6,9H2,2-4H3
InChIKeyBWKQFRNBNOHHBJ-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.31
Rot. Bonds4

About 5-methoxy-5-methylhex-1-en-3-amine

5-methoxy-5-methylhex-1-en-3-amine (PubChem CID 103028038) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 5-methoxy-5-methylhex-1-en-3-amine.

Molecular Properties

Compound Name5-methoxy-5-methylhex-1-en-3-amine
PubChem CID103028038
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name5-methoxy-5-methylhex-1-en-3-amine
SMILESC=CC(N)CC(C)(C)OC
InChIInChI=1S/C8H17NO/c1-5-7(9)6-8(2,3)10-4/h5,7H,1,6,9H2,2-4H3
InChIKeyBWKQFRNBNOHHBJ-UHFFFAOYSA-N
XLogP1.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethyl-3,4-dihydropyran-4-amine
CID 57194718
4-But-3-enoxy-4-methylpentan-2-amine
CID 90749707
5-Methoxy-5-methylhept-1-en-4-amine
CID 116757253
3-(Methoxymethyl)hex-5-en-2-amine
CID 143335167
5-[2-(2-Aminopropan-2-yl)but-3-enoxy]-5-methylhex-1-en-3-amine
CID 176561005
2-Methoxy-2-methylhept-6-en-3-amine
CID 79197423
2-Methoxy-2-methylhex-5-en-3-amine
CID 79197775
6-Methoxy-6-methylhept-1-en-4-amine
CID 103024962
6-methoxy-N,6-dimethylhept-1-en-4-amine
CID 103024963
(5-Methoxy-5-methylhex-1-en-3-yl)hydrazine
CID 103025379
2-Methoxy-2-methyloct-7-en-4-amine
CID 103027276
5-methoxy-N,5-dimethylhex-1-en-3-amine
CID 103028036

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-methylhex-1-en-3-amine?
The IUPAC name of 5-methoxy-5-methylhex-1-en-3-amine (CID 103028038) is 5-methoxy-5-methylhex-1-en-3-amine.
What is the SMILES notation for 5-methoxy-5-methylhex-1-en-3-amine?
The canonical SMILES for 5-methoxy-5-methylhex-1-en-3-amine is C=CC(N)CC(C)(C)OC.
What is the InChIKey of 5-methoxy-5-methylhex-1-en-3-amine?
The InChIKey is BWKQFRNBNOHHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-7(9)6-8(2,3)10-4/h5,7H,1,6,9H2,2-4H3.
What are the key properties of 5-methoxy-5-methylhex-1-en-3-amine?
5-methoxy-5-methylhex-1-en-3-amine has a molecular weight of 143.23 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methylhex-1-en-3-amine is sourced from PubChem (CID 103028038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).