(2E,5R,8S)-9-ethoxy-8-methyldeca-2,9-dien-5-amine

C13H25NO — CID 177046376

IUPAC(2E,5R,8S)-9-ethoxy-8-methyldeca-2,9-dien-5-amine
SMILESC=C(OCC)[C@@H](C)CC[C@@H](N)C/C=C/C
InChIInChI=1S/C13H25NO/c1-5-7-8-13(14)10-9-11(3)12(4)15-6-2/h5,7,11,13H,4,6,8-10,14H2,1-3H3/b7-5+/t11-,13-/m0/s1
InChIKeyDSOFFJXKBISFPR-FXOGGVSJSA-N
MW211.35 g/mol
LogP3.25
Rot. Bonds8

About (2E,5R,8S)-9-ethoxy-8-methyldeca-2,9-dien-5-amine

(2E,5R,8S)-9-ethoxy-8-methyldeca-2,9-dien-5-amine (PubChem CID 177046376) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (2E,5R,8S)-9-ethoxy-8-methyldeca-2,9-dien-5-amine.

Molecular Properties

Compound Name(2E,5R,8S)-9-ethoxy-8-methyldeca-2,9-dien-5-amine
PubChem CID177046376
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(2E,5R,8S)-9-ethoxy-8-methyldeca-2,9-dien-5-amine
SMILESC=C(OCC)[C@@H](C)CC[C@@H](N)C/C=C/C
InChIInChI=1S/C13H25NO/c1-5-7-8-13(14)10-9-11(3)12(4)15-6-2/h5,7,11,13H,4,6,8-10,14H2,1-3H3/b7-5+/t11-,13-/m0/s1
InChIKeyDSOFFJXKBISFPR-FXOGGVSJSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-[[(Z)-pent-1-enoxy]methyl]cyclohex-2-en-1-amine
CID 70892626
(1R)-4-[(2S)-2,3-dihydrofuran-2-yl]-2-methylcyclohex-2-en-1-amine
CID 89153852
(3S)-4-methoxy-3-methylcyclohept-4-en-1-amine
CID 164099712
2-(Hex-1-en-2-yloxymethyl)cyclohex-3-en-1-amine
CID 166688985
1-(Cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103163055
1-(Cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103163063
1-(3-Ethoxycyclobutyl)hept-6-en-2-amine
CID 103168775
1-(3-Ethoxycyclobutyl)hex-5-en-2-amine
CID 103168782
1-(3-Ethoxycyclobutyl)non-8-en-2-amine
CID 107011761
1-(Cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 113782965
2-(Cyclopent-3-en-1-yl)-1-(5-methyloxolan-2-yl)ethan-1-amine
CID 164660554
2-(Cyclopent-3-en-1-yl)-1-(3-methyloxolan-2-yl)ethan-1-amine
CID 164660886

Frequently Asked Questions

What is the IUPAC name of (2E,5R,8S)-9-ethoxy-8-methyldeca-2,9-dien-5-amine?
The IUPAC name of (2E,5R,8S)-9-ethoxy-8-methyldeca-2,9-dien-5-amine (CID 177046376) is (2E,5R,8S)-9-ethoxy-8-methyldeca-2,9-dien-5-amine.
What is the SMILES notation for (2E,5R,8S)-9-ethoxy-8-methyldeca-2,9-dien-5-amine?
The canonical SMILES for (2E,5R,8S)-9-ethoxy-8-methyldeca-2,9-dien-5-amine is C=C(OCC)[C@@H](C)CC[C@@H](N)C/C=C/C.
What is the InChIKey of (2E,5R,8S)-9-ethoxy-8-methyldeca-2,9-dien-5-amine?
The InChIKey is DSOFFJXKBISFPR-FXOGGVSJSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-7-8-13(14)10-9-11(3)12(4)15-6-2/h5,7,11,13H,4,6,8-10,14H2,1-3H3/b7-5+/t11-,13-/m0/s1.
What are the key properties of (2E,5R,8S)-9-ethoxy-8-methyldeca-2,9-dien-5-amine?
(2E,5R,8S)-9-ethoxy-8-methyldeca-2,9-dien-5-amine has a molecular weight of 211.35 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5R,8S)-9-ethoxy-8-methyldeca-2,9-dien-5-amine is sourced from PubChem (CID 177046376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).