2-ethoxy-2,5-dimethylhex-4-en-3-amine

C10H21NO — CID 116726324

IUPAC2-ethoxy-2,5-dimethylhex-4-en-3-amine
SMILESCCOC(C)(C)C(N)C=C(C)C
InChIInChI=1S/C10H21NO/c1-6-12-10(4,5)9(11)7-8(2)3/h7,9H,6,11H2,1-5H3
InChIKeyLEVDQOFNPFUEML-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.10
Rot. Bonds4

About 2-ethoxy-2,5-dimethylhex-4-en-3-amine

2-ethoxy-2,5-dimethylhex-4-en-3-amine (PubChem CID 116726324) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-ethoxy-2,5-dimethylhex-4-en-3-amine.

Molecular Properties

Compound Name2-ethoxy-2,5-dimethylhex-4-en-3-amine
PubChem CID116726324
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-ethoxy-2,5-dimethylhex-4-en-3-amine
SMILESCCOC(C)(C)C(N)C=C(C)C
InChIInChI=1S/C10H21NO/c1-6-12-10(4,5)9(11)7-8(2)3/h7,9H,6,11H2,1-5H3
InChIKeyLEVDQOFNPFUEML-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.10
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

(5-ethoxy-5-ethyl-2-methylhept-2-en-4-yl)hydrazine
CID 105275227
(3S)-2-ethoxy-2-methylhexan-3-amine
CID 104932360
1,3-diethoxy-3-methylbutan-2-amine
CID 116726159
ethane;2-ethoxy-2,3-dimethylbutane
CID 169190788
1-cycloheptyl-2-ethoxy-2-methylpropan-1-amine
CID 116726355
2-ethoxy-2-methylundecan-3-amine
CID 116726130
(2S)-4-amino-2-ethoxypentan-2-ol
CID 163736531
1-cyclopropyl-2-ethoxy-2-methylpropan-1-ol
CID 116713582
1,2,2-triethoxy-1-silylpropan-1-amine
CID 173454722
1,1-diethoxy-2,2-dimethylpropan-1-amine
CID 174896219
ethyl 2-(1-hydroxypropyl)-4-methylpent-3-enoate
CID 58725319
(5-ethyl-2,5-dimethylhept-2-en-4-yl) dihydrogen phosphite
CID 89140611

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2,5-dimethylhex-4-en-3-amine?
The IUPAC name of 2-ethoxy-2,5-dimethylhex-4-en-3-amine (CID 116726324) is 2-ethoxy-2,5-dimethylhex-4-en-3-amine.
What is the SMILES notation for 2-ethoxy-2,5-dimethylhex-4-en-3-amine?
The canonical SMILES for 2-ethoxy-2,5-dimethylhex-4-en-3-amine is CCOC(C)(C)C(N)C=C(C)C.
What is the InChIKey of 2-ethoxy-2,5-dimethylhex-4-en-3-amine?
The InChIKey is LEVDQOFNPFUEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-12-10(4,5)9(11)7-8(2)3/h7,9H,6,11H2,1-5H3.
What are the key properties of 2-ethoxy-2,5-dimethylhex-4-en-3-amine?
2-ethoxy-2,5-dimethylhex-4-en-3-amine has a molecular weight of 171.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2,5-dimethylhex-4-en-3-amine is sourced from PubChem (CID 116726324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).