5-ethoxy-N,5-dimethylhept-1-en-4-amine

C11H23NO — CID 116758698

IUPAC5-ethoxy-N,5-dimethylhept-1-en-4-amine
SMILESC=CCC(NC)C(C)(CC)OCC
InChIInChI=1S/C11H23NO/c1-6-9-10(12-5)11(4,7-2)13-8-3/h6,10,12H,1,7-9H2,2-5H3
InChIKeyNMYIDJBYMZCABP-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.36
Rot. Bonds7

About 5-ethoxy-N,5-dimethylhept-1-en-4-amine

5-ethoxy-N,5-dimethylhept-1-en-4-amine (PubChem CID 116758698) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 5-ethoxy-N,5-dimethylhept-1-en-4-amine.

Molecular Properties

Compound Name5-ethoxy-N,5-dimethylhept-1-en-4-amine
PubChem CID116758698
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name5-ethoxy-N,5-dimethylhept-1-en-4-amine
SMILESC=CCC(NC)C(C)(CC)OCC
InChIInChI=1S/C11H23NO/c1-6-9-10(12-5)11(4,7-2)13-8-3/h6,10,12H,1,7-9H2,2-5H3
InChIKeyNMYIDJBYMZCABP-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

Azane;2-ethyl-2,3-bis(prop-2-enyl)morpholine
CID 70503385
5-Methoxy-5-methylhept-1-en-4-amine
CID 116757253
(4R,5R)-7-ethyl-5-methoxy-N-methylnon-8-en-4-amine
CID 126687218
N-ethynyl-2-methyl-4-propoxyhept-6-en-3-amine
CID 146184300
2-[(1R)-1-(5-methylhexan-2-yloxy)ethyl]-1,2,3,4-tetrahydropyridine
CID 156395324
N-[2-(2-methoxyethoxy)ethyl]-4-methylhept-6-en-2-amine
CID 164549622
N-(1-ethoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine
CID 169302315
N-(1-ethoxypropan-2-yl)-2-prop-2-enyl-2-propylpent-4-en-1-amine
CID 174110162
N-methyl-1-propoxyhex-5-en-2-amine
CID 64299165
2-ethoxy-N-propylhept-6-en-3-amine
CID 64533204
2-ethoxy-N-ethylhept-6-en-3-amine
CID 64535214
2-ethoxy-N-methylhept-6-en-3-amine
CID 64540063

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N,5-dimethylhept-1-en-4-amine?
The IUPAC name of 5-ethoxy-N,5-dimethylhept-1-en-4-amine (CID 116758698) is 5-ethoxy-N,5-dimethylhept-1-en-4-amine.
What is the SMILES notation for 5-ethoxy-N,5-dimethylhept-1-en-4-amine?
The canonical SMILES for 5-ethoxy-N,5-dimethylhept-1-en-4-amine is C=CCC(NC)C(C)(CC)OCC.
What is the InChIKey of 5-ethoxy-N,5-dimethylhept-1-en-4-amine?
The InChIKey is NMYIDJBYMZCABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-9-10(12-5)11(4,7-2)13-8-3/h6,10,12H,1,7-9H2,2-5H3.
What are the key properties of 5-ethoxy-N,5-dimethylhept-1-en-4-amine?
5-ethoxy-N,5-dimethylhept-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 5-ethoxy-N,5-dimethylhept-1-en-4-amine is sourced from PubChem (CID 116758698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).