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

C14H29NO — CID 114475977

IUPAC3-ethoxy-N-ethyl-2,7-dimethyloct-7-en-4-amine
SMILESC=C(C)CCC(NCC)C(OCC)C(C)C
InChIInChI=1S/C14H29NO/c1-7-15-13(10-9-11(3)4)14(12(5)6)16-8-2/h12-15H,3,7-10H2,1-2,4-6H3
InChIKeyAPTUUMUTHFRMHJ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.38
Rot. Bonds9

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

3-ethoxy-N-ethyl-2,7-dimethyloct-7-en-4-amine (PubChem CID 114475977) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-2,7-dimethyloct-7-en-4-amine.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-2,7-dimethyloct-7-en-4-amine
PubChem CID114475977
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-ethoxy-N-ethyl-2,7-dimethyloct-7-en-4-amine
SMILESC=C(C)CCC(NCC)C(OCC)C(C)C
InChIInChI=1S/C14H29NO/c1-7-15-13(10-9-11(3)4)14(12(5)6)16-8-2/h12-15H,3,7-10H2,1-2,4-6H3
InChIKeyAPTUUMUTHFRMHJ-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.38
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

(4R,5R)-7-ethyl-5-methoxy-N-methylnon-8-en-4-amine
CID 126687218
6-methoxy-2-methyl-7-methylidene-N-propan-2-ylhenicosan-5-amine
CID 134480083
2-methyl-3-methylidene-N-propan-2-yl-6-propan-2-yloxyheptan-4-amine
CID 135274385
2-[(1R,2S)-2-ethenyl-1-methoxy-3-methylbut-3-enyl]pyrrolidine
CID 163459687
N,3,7-trimethyl-9-methylidene-5-pentadec-1-en-2-yloxydocosan-6-amine
CID 169573831
2-Propan-2-yl-5-(1-propan-2-yloxyethenyl)pyrrolidine
CID 169835769
7-Methylidene-2-(propan-2-yloxymethyl)azocane
CID 172627679
N-butyl-22-hexyl-20-methylidene-2-tridecan-7-yloxyoctacos-1-en-11-amine
CID 174290705
2-methyl-N-[[(2R,6R)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine
CID 929047
[(2S,6R)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium
CID 1795242
2-methyl-N-[[(2S,6R)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine
CID 1795243
[(2R,6S)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium
CID 1795244

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-2,7-dimethyloct-7-en-4-amine?
The IUPAC name of 3-ethoxy-N-ethyl-2,7-dimethyloct-7-en-4-amine (CID 114475977) is 3-ethoxy-N-ethyl-2,7-dimethyloct-7-en-4-amine.
What is the SMILES notation for 3-ethoxy-N-ethyl-2,7-dimethyloct-7-en-4-amine?
The canonical SMILES for 3-ethoxy-N-ethyl-2,7-dimethyloct-7-en-4-amine is C=C(C)CCC(NCC)C(OCC)C(C)C.
What is the InChIKey of 3-ethoxy-N-ethyl-2,7-dimethyloct-7-en-4-amine?
The InChIKey is APTUUMUTHFRMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-7-15-13(10-9-11(3)4)14(12(5)6)16-8-2/h12-15H,3,7-10H2,1-2,4-6H3.
What are the key properties of 3-ethoxy-N-ethyl-2,7-dimethyloct-7-en-4-amine?
3-ethoxy-N-ethyl-2,7-dimethyloct-7-en-4-amine has a molecular weight of 227.39 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-ethyl-2,7-dimethyloct-7-en-4-amine is sourced from PubChem (CID 114475977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).