(E)-3-ethoxy-3-methylhex-4-en-1-amine

C9H19NO — CID 163902015

IUPAC(E)-3-ethoxy-3-methylhex-4-en-1-amine
SMILESC/C=C/C(C)(CCN)OCC
InChIInChI=1S/C9H19NO/c1-4-6-9(3,7-8-10)11-5-2/h4,6H,5,7-8,10H2,1-3H3/b6-4+
InChIKeyQKRDLGKFJRZLMC-GQCTYLIASA-N
MW157.26 g/mol
LogP1.71
Rot. Bonds5

About (E)-3-ethoxy-3-methylhex-4-en-1-amine

(E)-3-ethoxy-3-methylhex-4-en-1-amine (PubChem CID 163902015) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (E)-3-ethoxy-3-methylhex-4-en-1-amine.

Molecular Properties

Compound Name(E)-3-ethoxy-3-methylhex-4-en-1-amine
PubChem CID163902015
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(E)-3-ethoxy-3-methylhex-4-en-1-amine
SMILESC/C=C/C(C)(CCN)OCC
InChIInChI=1S/C9H19NO/c1-4-6-9(3,7-8-10)11-5-2/h4,6H,5,7-8,10H2,1-3H3/b6-4+
InChIKeyQKRDLGKFJRZLMC-GQCTYLIASA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.71
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

(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]propan-1-amine
CID 55290582
(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]propan-1-amine
CID 58208612
2-(2,5-Dihydrofuran-2-yl)propan-1-amine
CID 67048587
2-[(2S)-2,5-dihydrofuran-2-yl]propan-1-amine
CID 68371974
(2S)-2-[(2R)-2,5-dihydrofuran-2-yl]propan-1-amine
CID 123578504
[3-Methyl-3-(3-methylbutoxy)cyclopropen-1-yl]methanamine
CID 149308513
2-(4-Methoxy-4-methylcyclohexa-1,5-dien-1-yl)ethanamine
CID 152779889
3-(3,7-Dimethylocta-2,6-dienoxy)propan-1-amine
CID 154376410
(Z)-6-methoxy-N,3,6-trimethylhept-4-en-1-amine
CID 163896289
(2S,3R)-3-[(Z)-hex-4-en-3-yl]oxy-2-methylbutan-1-amine
CID 163972019
(Z,4S)-4-[(2R)-2-methylbutoxy]hex-2-en-1-amine
CID 164056079
N-[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]propyl]thiohydroxylamine
CID 164071258

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethoxy-3-methylhex-4-en-1-amine?
The IUPAC name of (E)-3-ethoxy-3-methylhex-4-en-1-amine (CID 163902015) is (E)-3-ethoxy-3-methylhex-4-en-1-amine.
What is the SMILES notation for (E)-3-ethoxy-3-methylhex-4-en-1-amine?
The canonical SMILES for (E)-3-ethoxy-3-methylhex-4-en-1-amine is C/C=C/C(C)(CCN)OCC.
What is the InChIKey of (E)-3-ethoxy-3-methylhex-4-en-1-amine?
The InChIKey is QKRDLGKFJRZLMC-GQCTYLIASA-N. The full InChI is InChI=1S/C9H19NO/c1-4-6-9(3,7-8-10)11-5-2/h4,6H,5,7-8,10H2,1-3H3/b6-4+.
What are the key properties of (E)-3-ethoxy-3-methylhex-4-en-1-amine?
(E)-3-ethoxy-3-methylhex-4-en-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethoxy-3-methylhex-4-en-1-amine is sourced from PubChem (CID 163902015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).