N-ethyl-2-methoxy-2-methylnon-8-en-4-amine

C13H27NO — CID 103027273

IUPACN-ethyl-2-methoxy-2-methylnon-8-en-4-amine
SMILESC=CCCCC(CC(C)(C)OC)NCC
InChIInChI=1S/C13H27NO/c1-6-8-9-10-12(14-7-2)11-13(3,4)15-5/h6,12,14H,1,7-11H2,2-5H3
InChIKeyPMFRIARLKCYJCE-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.14
Rot. Bonds9

About N-ethyl-2-methoxy-2-methylnon-8-en-4-amine

N-ethyl-2-methoxy-2-methylnon-8-en-4-amine (PubChem CID 103027273) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-ethyl-2-methoxy-2-methylnon-8-en-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-2-methylnon-8-en-4-amine
PubChem CID103027273
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-ethyl-2-methoxy-2-methylnon-8-en-4-amine
SMILESC=CCCCC(CC(C)(C)OC)NCC
InChIInChI=1S/C13H27NO/c1-6-8-9-10-12(14-7-2)11-13(3,4)15-5/h6,12,14H,1,7-11H2,2-5H3
InChIKeyPMFRIARLKCYJCE-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-methoxyoct-7-en-3-amine
CID 64297217
1-methoxy-N-propyloct-7-en-3-amine
CID 64297219
1-methoxy-N-propylnon-8-en-4-amine
CID 65091822
N-ethyl-1-methoxynon-8-en-4-amine
CID 65092220
1-(oxolan-3-yl)-N-propylhex-5-en-1-amine
CID 65329434
N-ethyl-1-(oxolan-3-yl)hex-5-en-1-amine
CID 65330142
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-2-methyl-5-methylidene-N-propylheptan-3-amine
CID 79198171
N-ethyl-2-methoxy-2-methyloct-7-en-3-amine
CID 79198266
1-(2-methyloxan-2-yl)-N-propylhex-5-en-1-amine
CID 80684331

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-2-methylnon-8-en-4-amine?
The IUPAC name of N-ethyl-2-methoxy-2-methylnon-8-en-4-amine (CID 103027273) is N-ethyl-2-methoxy-2-methylnon-8-en-4-amine.
What is the SMILES notation for N-ethyl-2-methoxy-2-methylnon-8-en-4-amine?
The canonical SMILES for N-ethyl-2-methoxy-2-methylnon-8-en-4-amine is C=CCCCC(CC(C)(C)OC)NCC.
What is the InChIKey of N-ethyl-2-methoxy-2-methylnon-8-en-4-amine?
The InChIKey is PMFRIARLKCYJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-8-9-10-12(14-7-2)11-13(3,4)15-5/h6,12,14H,1,7-11H2,2-5H3.
What are the key properties of N-ethyl-2-methoxy-2-methylnon-8-en-4-amine?
N-ethyl-2-methoxy-2-methylnon-8-en-4-amine has a molecular weight of 213.36 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-2-methylnon-8-en-4-amine is sourced from PubChem (CID 103027273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).