2-methoxy-2,7-dimethyloct-7-en-4-amine

C11H23NO — CID 103029363

IUPAC2-methoxy-2,7-dimethyloct-7-en-4-amine
SMILESC=C(C)CCC(N)CC(C)(C)OC
InChIInChI=1S/C11H23NO/c1-9(2)6-7-10(12)8-11(3,4)13-5/h10H,1,6-8,12H2,2-5H3
InChIKeySZHCVBXBVKVIFU-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.49
Rot. Bonds6

About 2-methoxy-2,7-dimethyloct-7-en-4-amine

2-methoxy-2,7-dimethyloct-7-en-4-amine (PubChem CID 103029363) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-methoxy-2,7-dimethyloct-7-en-4-amine.

Molecular Properties

Compound Name2-methoxy-2,7-dimethyloct-7-en-4-amine
PubChem CID103029363
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-methoxy-2,7-dimethyloct-7-en-4-amine
SMILESC=C(C)CCC(N)CC(C)(C)OC
InChIInChI=1S/C11H23NO/c1-9(2)6-7-10(12)8-11(3,4)13-5/h10H,1,6-8,12H2,2-5H3
InChIKeySZHCVBXBVKVIFU-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.49
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-Methoxy-8-methylnon-1-en-3-amine
CID 134583678
(4S)-2-[(2-methylpropan-2-yl)oxy]oct-1-en-4-amine
CID 142371237
(2S)-1-(cyclopenten-1-yl)-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine
CID 150212700
9-Methoxy-3,4,5-trimethylidenenonane-1,7-diamine
CID 176088919
1-Methoxy-6-methylideneoctan-4-amine
CID 66038527
1-Methoxy-5-methylideneheptan-3-amine
CID 66038745
2-Methoxy-2-methyloct-7-en-3-amine
CID 79197658
2-Methoxy-2-methyl-5-methylideneheptan-3-amine
CID 79197661
3-Methylidene-1-(2-methyloxan-2-yl)pentan-1-amine
CID 80684583
(2-Methoxy-2-methyl-6-methylideneoctan-4-yl)hydrazine
CID 103025389
(2-Methoxy-2,7-dimethyloct-7-en-4-yl)hydrazine
CID 103025484
2-methoxy-N,2-dimethylnon-8-en-4-amine
CID 103027271

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,7-dimethyloct-7-en-4-amine?
The IUPAC name of 2-methoxy-2,7-dimethyloct-7-en-4-amine (CID 103029363) is 2-methoxy-2,7-dimethyloct-7-en-4-amine.
What is the SMILES notation for 2-methoxy-2,7-dimethyloct-7-en-4-amine?
The canonical SMILES for 2-methoxy-2,7-dimethyloct-7-en-4-amine is C=C(C)CCC(N)CC(C)(C)OC.
What is the InChIKey of 2-methoxy-2,7-dimethyloct-7-en-4-amine?
The InChIKey is SZHCVBXBVKVIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)6-7-10(12)8-11(3,4)13-5/h10H,1,6-8,12H2,2-5H3.
What are the key properties of 2-methoxy-2,7-dimethyloct-7-en-4-amine?
2-methoxy-2,7-dimethyloct-7-en-4-amine has a molecular weight of 185.31 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,7-dimethyloct-7-en-4-amine is sourced from PubChem (CID 103029363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).