N-ethyl-3-methoxy-2,2-dimethyloct-7-en-4-amine

C13H27NO — CID 116724835

IUPACN-ethyl-3-methoxy-2,2-dimethyloct-7-en-4-amine
SMILESC=CCCC(NCC)C(OC)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-7-9-10-11(14-8-2)12(15-6)13(3,4)5/h7,11-12,14H,1,8-10H2,2-6H3
InChIKeyVXOWIRJRVBYKKY-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.99
Rot. Bonds7

About N-ethyl-3-methoxy-2,2-dimethyloct-7-en-4-amine

N-ethyl-3-methoxy-2,2-dimethyloct-7-en-4-amine (PubChem CID 116724835) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-ethyl-3-methoxy-2,2-dimethyloct-7-en-4-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-2,2-dimethyloct-7-en-4-amine
PubChem CID116724835
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-ethyl-3-methoxy-2,2-dimethyloct-7-en-4-amine
SMILESC=CCCC(NCC)C(OC)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-7-9-10-11(14-8-2)12(15-6)13(3,4)5/h7,11-12,14H,1,8-10H2,2-6H3
InChIKeyVXOWIRJRVBYKKY-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.99
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-(1-Methoxy-2-methylbut-3-enyl)pyrrolidine
CID 123194034
(4R,5R)-7-ethyl-5-methoxy-N-methylnon-8-en-4-amine
CID 126687218
(2S)-2-[(1R,2S)-1-methoxy-2-methylbut-3-enyl]pyrrolidine
CID 141373569
2-(3,3-dimethyl-2H-furan-2-yl)pyrrolidine
CID 167496658
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-6-methylheptan-2-amine
CID 62065960
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4-dimethylcyclohexan-1-amine
CID 64400877
2-ethoxy-N-propylhept-6-en-3-amine
CID 64533204
2-ethoxy-N-ethyloct-7-en-3-amine
CID 64533801
2-ethoxy-N-ethylhept-6-en-3-amine
CID 64535214
2-ethoxy-N-propyloct-7-en-3-amine
CID 64535230
2-ethoxy-N-methylhept-6-en-3-amine
CID 64540063
2-methoxy-2-methyl-N-propyloct-7-en-3-amine
CID 79197465

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-2,2-dimethyloct-7-en-4-amine?
The IUPAC name of N-ethyl-3-methoxy-2,2-dimethyloct-7-en-4-amine (CID 116724835) is N-ethyl-3-methoxy-2,2-dimethyloct-7-en-4-amine.
What is the SMILES notation for N-ethyl-3-methoxy-2,2-dimethyloct-7-en-4-amine?
The canonical SMILES for N-ethyl-3-methoxy-2,2-dimethyloct-7-en-4-amine is C=CCCC(NCC)C(OC)C(C)(C)C.
What is the InChIKey of N-ethyl-3-methoxy-2,2-dimethyloct-7-en-4-amine?
The InChIKey is VXOWIRJRVBYKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-7-9-10-11(14-8-2)12(15-6)13(3,4)5/h7,11-12,14H,1,8-10H2,2-6H3.
What are the key properties of N-ethyl-3-methoxy-2,2-dimethyloct-7-en-4-amine?
N-ethyl-3-methoxy-2,2-dimethyloct-7-en-4-amine has a molecular weight of 213.36 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-2,2-dimethyloct-7-en-4-amine is sourced from PubChem (CID 116724835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).