N-(2-methoxyethyl)-7,7-dimethyloct-3-en-1-amine

C13H27NO — CID 79599695

IUPACN-(2-methoxyethyl)-7,7-dimethyloct-3-en-1-amine
SMILESCOCCNCCC=CCCC(C)(C)C
InChIInChI=1S/C13H27NO/c1-13(2,3)9-7-5-6-8-10-14-11-12-15-4/h5-6,14H,7-12H2,1-4H3
InChIKeyDMDBMINZUZGGNW-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.99
Rot. Bonds8

About N-(2-methoxyethyl)-7,7-dimethyloct-3-en-1-amine

N-(2-methoxyethyl)-7,7-dimethyloct-3-en-1-amine (PubChem CID 79599695) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-7,7-dimethyloct-3-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-7,7-dimethyloct-3-en-1-amine
PubChem CID79599695
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(2-methoxyethyl)-7,7-dimethyloct-3-en-1-amine
SMILESCOCCNCCC=CCCC(C)(C)C
InChIInChI=1S/C13H27NO/c1-13(2,3)9-7-5-6-8-10-14-11-12-15-4/h5-6,14H,7-12H2,1-4H3
InChIKeyDMDBMINZUZGGNW-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-5-bromo-5,5-difluoro-N-(2-methoxyethyl)pent-3-en-1-amine
CID 107140612
1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine
CID 64681637
3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103019869
N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54806858
4-methoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62724351
N-(3,3-dimethylbutyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62557559
6-ethyl-N-(2-methoxyethyl)dec-3-en-1-amine
CID 79599040
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
4-(3,5-dimethylphenyl)-N-(2-methoxyethyl)but-3-en-1-amine
CID 79597907
N-(2-methoxyethyl)-2,5,5-trimethyl-2-propylhexan-1-amine
CID 55196240
N-(2-methoxyethyl)-5-thiophen-2-ylpent-3-en-1-amine
CID 79599821
N-(7,7-dimethyloct-3-enyl)cyclopropanamine
CID 79591091

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-7,7-dimethyloct-3-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-7,7-dimethyloct-3-en-1-amine (CID 79599695) is N-(2-methoxyethyl)-7,7-dimethyloct-3-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-7,7-dimethyloct-3-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-7,7-dimethyloct-3-en-1-amine is COCCNCCC=CCCC(C)(C)C.
What is the InChIKey of N-(2-methoxyethyl)-7,7-dimethyloct-3-en-1-amine?
The InChIKey is DMDBMINZUZGGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-13(2,3)9-7-5-6-8-10-14-11-12-15-4/h5-6,14H,7-12H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-7,7-dimethyloct-3-en-1-amine?
N-(2-methoxyethyl)-7,7-dimethyloct-3-en-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-7,7-dimethyloct-3-en-1-amine is sourced from PubChem (CID 79599695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).