7-methoxy-N,7-dimethyloct-1-en-4-amine

C11H23NO — CID 103036044

IUPAC7-methoxy-N,7-dimethyloct-1-en-4-amine
SMILESC=CCC(CCC(C)(C)OC)NC
InChIInChI=1S/C11H23NO/c1-6-7-10(12-4)8-9-11(2,3)13-5/h6,10,12H,1,7-9H2,2-5H3
InChIKeyMMHWSMTVFIPKSA-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.36
Rot. Bonds7

About 7-methoxy-N,7-dimethyloct-1-en-4-amine

7-methoxy-N,7-dimethyloct-1-en-4-amine (PubChem CID 103036044) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 7-methoxy-N,7-dimethyloct-1-en-4-amine.

Molecular Properties

Compound Name7-methoxy-N,7-dimethyloct-1-en-4-amine
PubChem CID103036044
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name7-methoxy-N,7-dimethyloct-1-en-4-amine
SMILESC=CCC(CCC(C)(C)OC)NC
InChIInChI=1S/C11H23NO/c1-6-7-10(12-4)8-9-11(2,3)13-5/h6,10,12H,1,7-9H2,2-5H3
InChIKeyMMHWSMTVFIPKSA-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.36
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

N-ethyl-2-methoxy-2-methyl-5-methylideneheptan-3-amine
CID 79196993
2-methoxy-2-methyl-N-propyloct-7-en-3-amine
CID 79197465
2-methoxy-N,2-dimethyloct-7-en-3-amine
CID 79197553
2-methoxy-N,2-dimethylhept-6-en-3-amine
CID 79197556
2-Methoxy-2-methyloct-7-en-3-amine
CID 79197658
2-methoxy-N,2-dimethyl-5-methylideneheptan-3-amine
CID 79197678
2-methoxy-2-methyl-5-methylidene-N-propylheptan-3-amine
CID 79198171
N-ethyl-2-methoxy-2-methyloct-7-en-3-amine
CID 79198266
6-methoxy-N,6-dimethylhept-1-en-4-amine
CID 103024963
N-ethyl-6-methoxy-6-methylhept-1-en-4-amine
CID 103024964
6-methoxy-6-methyl-N-propylhept-1-en-4-amine
CID 103024965
2-methoxy-N,2-dimethylnon-8-en-4-amine
CID 103027271

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N,7-dimethyloct-1-en-4-amine?
The IUPAC name of 7-methoxy-N,7-dimethyloct-1-en-4-amine (CID 103036044) is 7-methoxy-N,7-dimethyloct-1-en-4-amine.
What is the SMILES notation for 7-methoxy-N,7-dimethyloct-1-en-4-amine?
The canonical SMILES for 7-methoxy-N,7-dimethyloct-1-en-4-amine is C=CCC(CCC(C)(C)OC)NC.
What is the InChIKey of 7-methoxy-N,7-dimethyloct-1-en-4-amine?
The InChIKey is MMHWSMTVFIPKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-7-10(12-4)8-9-11(2,3)13-5/h6,10,12H,1,7-9H2,2-5H3.
What are the key properties of 7-methoxy-N,7-dimethyloct-1-en-4-amine?
7-methoxy-N,7-dimethyloct-1-en-4-amine has a molecular weight of 185.31 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N,7-dimethyloct-1-en-4-amine is sourced from PubChem (CID 103036044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).