4-(methoxymethyl)-7,7-dimethyloct-4-en-1-amine

C12H25NO — CID 103392099

IUPAC4-(methoxymethyl)-7,7-dimethyloct-4-en-1-amine
SMILESCOCC(=CCC(C)(C)C)CCCN
InChIInChI=1S/C12H25NO/c1-12(2,3)8-7-11(10-14-4)6-5-9-13/h7H,5-6,8-10,13H2,1-4H3
InChIKeyBULLXUBNKATXFE-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.73
Rot. Bonds6

About 4-(methoxymethyl)-7,7-dimethyloct-4-en-1-amine

4-(methoxymethyl)-7,7-dimethyloct-4-en-1-amine (PubChem CID 103392099) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-(methoxymethyl)-7,7-dimethyloct-4-en-1-amine.

Molecular Properties

Compound Name4-(methoxymethyl)-7,7-dimethyloct-4-en-1-amine
PubChem CID103392099
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-(methoxymethyl)-7,7-dimethyloct-4-en-1-amine
SMILESCOCC(=CCC(C)(C)C)CCCN
InChIInChI=1S/C12H25NO/c1-12(2,3)8-7-11(10-14-4)6-5-9-13/h7H,5-6,8-10,13H2,1-4H3
InChIKeyBULLXUBNKATXFE-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.73
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-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropan-1-amine
CID 105430395
8,8,8-Trifluoro-4-(methoxymethyl)oct-4-en-1-amine
CID 103392090
7,7,7-Trifluoro-4-(methoxymethyl)hept-4-en-1-amine
CID 103392123
2-(3-Oxabicyclo[4.1.0]hept-1(7)-en-6-yl)ethanamine
CID 155014858
(Z)-5-methoxy-3-(2-methoxypropyl)hex-3-en-1-amine
CID 155228105
(3Z)-5-methoxy-3-(2-methoxyethylidene)hexan-1-amine
CID 155228157
4-[4-(Methoxymethyl)-5,5-dimethylcyclohepta-1,3,6-trien-1-yl]butan-1-amine
CID 166840801
4-Cyclopropyl-5-methoxypent-3-en-1-amine
CID 80410631
4-(Methoxymethyl)hex-4-en-1-amine
CID 103392067
4-(Methoxymethyl)-6-methylhept-4-en-1-amine
CID 103392068
(Z)-4-(methoxymethyl)dec-4-en-1-amine
CID 103392069
(Z)-4-(methoxymethyl)non-4-en-1-amine
CID 103392070

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-7,7-dimethyloct-4-en-1-amine?
The IUPAC name of 4-(methoxymethyl)-7,7-dimethyloct-4-en-1-amine (CID 103392099) is 4-(methoxymethyl)-7,7-dimethyloct-4-en-1-amine.
What is the SMILES notation for 4-(methoxymethyl)-7,7-dimethyloct-4-en-1-amine?
The canonical SMILES for 4-(methoxymethyl)-7,7-dimethyloct-4-en-1-amine is COCC(=CCC(C)(C)C)CCCN.
What is the InChIKey of 4-(methoxymethyl)-7,7-dimethyloct-4-en-1-amine?
The InChIKey is BULLXUBNKATXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-12(2,3)8-7-11(10-14-4)6-5-9-13/h7H,5-6,8-10,13H2,1-4H3.
What are the key properties of 4-(methoxymethyl)-7,7-dimethyloct-4-en-1-amine?
4-(methoxymethyl)-7,7-dimethyloct-4-en-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-7,7-dimethyloct-4-en-1-amine is sourced from PubChem (CID 103392099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).