4-ethoxypent-4-en-2-amine

C7H15NO — CID 167190626

IUPAC4-ethoxypent-4-en-2-amine
SMILESC=C(CC(C)N)OCC
InChIInChI=1S/C7H15NO/c1-4-9-7(3)5-6(2)8/h6H,3-5,8H2,1-2H3
InChIKeyGUVLFPDHYOXJRT-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.27
Rot. Bonds4

About 4-ethoxypent-4-en-2-amine

4-ethoxypent-4-en-2-amine (PubChem CID 167190626) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 4-ethoxypent-4-en-2-amine.

Molecular Properties

Compound Name4-ethoxypent-4-en-2-amine
PubChem CID167190626
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name4-ethoxypent-4-en-2-amine
SMILESC=C(CC(C)N)OCC
InChIInChI=1S/C7H15NO/c1-4-9-7(3)5-6(2)8/h6H,3-5,8H2,1-2H3
InChIKeyGUVLFPDHYOXJRT-UHFFFAOYSA-N
XLogP1.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Amino-methylenetetrahydrofuran
CID 129797481
2-Fluoro-5-methoxyhexa-1,5-dien-3-amine
CID 134447268
3-Ethoxybut-3-en-1-amine
CID 89171702
3-Propoxybut-3-en-2-amine
CID 90230891
4-Propoxypent-4-en-2-amine
CID 117626742
3-Butoxybut-3-en-1-amine
CID 117817063
(2S)-3-ethoxybut-3-en-2-amine
CID 122550868
4-Methoxypent-4-en-2-amine
CID 123621795
4-Butan-2-yloxypent-4-en-2-amine
CID 126663228
(3R)-5-methoxypent-1-en-3-amine
CID 137495270
4-Prop-1-en-2-yloxybutan-2-amine
CID 138563169
4-Ethoxypent-4-en-1-amine
CID 139310574

Frequently Asked Questions

What is the IUPAC name of 4-ethoxypent-4-en-2-amine?
The IUPAC name of 4-ethoxypent-4-en-2-amine (CID 167190626) is 4-ethoxypent-4-en-2-amine.
What is the SMILES notation for 4-ethoxypent-4-en-2-amine?
The canonical SMILES for 4-ethoxypent-4-en-2-amine is C=C(CC(C)N)OCC.
What is the InChIKey of 4-ethoxypent-4-en-2-amine?
The InChIKey is GUVLFPDHYOXJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-9-7(3)5-6(2)8/h6H,3-5,8H2,1-2H3.
What are the key properties of 4-ethoxypent-4-en-2-amine?
4-ethoxypent-4-en-2-amine has a molecular weight of 129.20 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxypent-4-en-2-amine is sourced from PubChem (CID 167190626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).