2-ethoxy-5-methoxy-4,4-dimethylpent-1-en-3-amine

C10H21NO2 — CID 123680738

IUPAC2-ethoxy-5-methoxy-4,4-dimethylpent-1-en-3-amine
SMILESC=C(OCC)C(N)C(C)(C)COC
InChIInChI=1S/C10H21NO2/c1-6-13-8(2)9(11)10(3,4)7-12-5/h9H,2,6-7,11H2,1,3-5H3
InChIKeyASFQIHRLVANFHG-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.54
Rot. Bonds6

About 2-ethoxy-5-methoxy-4,4-dimethylpent-1-en-3-amine

2-ethoxy-5-methoxy-4,4-dimethylpent-1-en-3-amine (PubChem CID 123680738) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-ethoxy-5-methoxy-4,4-dimethylpent-1-en-3-amine.

Molecular Properties

Compound Name2-ethoxy-5-methoxy-4,4-dimethylpent-1-en-3-amine
PubChem CID123680738
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-ethoxy-5-methoxy-4,4-dimethylpent-1-en-3-amine
SMILESC=C(OCC)C(N)C(C)(C)COC
InChIInChI=1S/C10H21NO2/c1-6-13-8(2)9(11)10(3,4)7-12-5/h9H,2,6-7,11H2,1,3-5H3
InChIKeyASFQIHRLVANFHG-UHFFFAOYSA-N
XLogP1.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-2-[(E)-2,3-dimethylbut-1-enoxy]-4,4-dimethylpent-1-en-3-amine
CID 89383878
2-Butoxy-4-methylpent-1-en-3-amine
CID 126663156
4-Methyl-2-propoxypent-1-en-3-amine
CID 154671444
2-Ethoxy-4-methylpent-1-en-3-amine
CID 155034073
4,4-Dimethyl-2-(2,3,3-trimethylbutan-2-yloxy)pent-1-en-3-amine
CID 170086248
Ethane;2-ethoxy-4-methylpent-1-en-3-amine
CID 177974551
3-(2,2,3,3-Tetramethylbutoxy)but-3-en-2-amine
CID 163740535
(2S)-3-(2,2,3,3-tetramethylbutoxy)but-3-en-2-amine
CID 163740536
4-Methyl-2-(2,2,3,3-tetramethylbutoxy)pent-1-en-3-amine
CID 163740538
(3S)-4-methyl-2-(2,2,3,3-tetramethylbutoxy)pent-1-en-3-amine
CID 163740539

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-methoxy-4,4-dimethylpent-1-en-3-amine?
The IUPAC name of 2-ethoxy-5-methoxy-4,4-dimethylpent-1-en-3-amine (CID 123680738) is 2-ethoxy-5-methoxy-4,4-dimethylpent-1-en-3-amine.
What is the SMILES notation for 2-ethoxy-5-methoxy-4,4-dimethylpent-1-en-3-amine?
The canonical SMILES for 2-ethoxy-5-methoxy-4,4-dimethylpent-1-en-3-amine is C=C(OCC)C(N)C(C)(C)COC.
What is the InChIKey of 2-ethoxy-5-methoxy-4,4-dimethylpent-1-en-3-amine?
The InChIKey is ASFQIHRLVANFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-6-13-8(2)9(11)10(3,4)7-12-5/h9H,2,6-7,11H2,1,3-5H3.
What are the key properties of 2-ethoxy-5-methoxy-4,4-dimethylpent-1-en-3-amine?
2-ethoxy-5-methoxy-4,4-dimethylpent-1-en-3-amine has a molecular weight of 187.28 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-methoxy-4,4-dimethylpent-1-en-3-amine is sourced from PubChem (CID 123680738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).