2-ethenoxy-N-prop-2-enylpent-1-en-3-amine

C10H17NO — CID 88757679

IUPAC2-ethenoxy-N-prop-2-enylpent-1-en-3-amine
SMILESC=CCNC(CC)C(=C)OC=C
InChIInChI=1S/C10H17NO/c1-5-8-11-10(6-2)9(4)12-7-3/h5,7,10-11H,1,3-4,6,8H2,2H3
InChIKeyNEYRYBQAQVAEKM-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.21
Rot. Bonds7

About 2-ethenoxy-N-prop-2-enylpent-1-en-3-amine

2-ethenoxy-N-prop-2-enylpent-1-en-3-amine (PubChem CID 88757679) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-ethenoxy-N-prop-2-enylpent-1-en-3-amine.

Molecular Properties

Compound Name2-ethenoxy-N-prop-2-enylpent-1-en-3-amine
PubChem CID88757679
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-ethenoxy-N-prop-2-enylpent-1-en-3-amine
SMILESC=CCNC(CC)C(=C)OC=C
InChIInChI=1S/C10H17NO/c1-5-8-11-10(6-2)9(4)12-7-3/h5,7,10-11H,1,3-4,6,8H2,2H3
InChIKeyNEYRYBQAQVAEKM-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.21
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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Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-N-prop-2-enylpent-1-en-3-amine?
The IUPAC name of 2-ethenoxy-N-prop-2-enylpent-1-en-3-amine (CID 88757679) is 2-ethenoxy-N-prop-2-enylpent-1-en-3-amine.
What is the SMILES notation for 2-ethenoxy-N-prop-2-enylpent-1-en-3-amine?
The canonical SMILES for 2-ethenoxy-N-prop-2-enylpent-1-en-3-amine is C=CCNC(CC)C(=C)OC=C.
What is the InChIKey of 2-ethenoxy-N-prop-2-enylpent-1-en-3-amine?
The InChIKey is NEYRYBQAQVAEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-8-11-10(6-2)9(4)12-7-3/h5,7,10-11H,1,3-4,6,8H2,2H3.
What are the key properties of 2-ethenoxy-N-prop-2-enylpent-1-en-3-amine?
2-ethenoxy-N-prop-2-enylpent-1-en-3-amine has a molecular weight of 167.25 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-N-prop-2-enylpent-1-en-3-amine is sourced from PubChem (CID 88757679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).