2-but-3-enoxy-N-(cyclohexylmethyl)ethanamine

C13H25NO — CID 62597822

IUPAC2-but-3-enoxy-N-(cyclohexylmethyl)ethanamine
SMILESC=CCCOCCNCC1CCCCC1
InChIInChI=1S/C13H25NO/c1-2-3-10-15-11-9-14-12-13-7-5-4-6-8-13/h2,13-14H,1,3-12H2
InChIKeyKNSVEQRQWPGMFF-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds8

About 2-but-3-enoxy-N-(cyclohexylmethyl)ethanamine

2-but-3-enoxy-N-(cyclohexylmethyl)ethanamine (PubChem CID 62597822) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-but-3-enoxy-N-(cyclohexylmethyl)ethanamine.

Molecular Properties

Compound Name2-but-3-enoxy-N-(cyclohexylmethyl)ethanamine
PubChem CID62597822
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-but-3-enoxy-N-(cyclohexylmethyl)ethanamine
SMILESC=CCCOCCNCC1CCCCC1
InChIInChI=1S/C13H25NO/c1-2-3-10-15-11-9-14-12-13-7-5-4-6-8-13/h2,13-14H,1,3-12H2
InChIKeyKNSVEQRQWPGMFF-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-(cyclohexylmethyl)ethanamine?
The IUPAC name of 2-but-3-enoxy-N-(cyclohexylmethyl)ethanamine (CID 62597822) is 2-but-3-enoxy-N-(cyclohexylmethyl)ethanamine.
What is the SMILES notation for 2-but-3-enoxy-N-(cyclohexylmethyl)ethanamine?
The canonical SMILES for 2-but-3-enoxy-N-(cyclohexylmethyl)ethanamine is C=CCCOCCNCC1CCCCC1.
What is the InChIKey of 2-but-3-enoxy-N-(cyclohexylmethyl)ethanamine?
The InChIKey is KNSVEQRQWPGMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-3-10-15-11-9-14-12-13-7-5-4-6-8-13/h2,13-14H,1,3-12H2.
What are the key properties of 2-but-3-enoxy-N-(cyclohexylmethyl)ethanamine?
2-but-3-enoxy-N-(cyclohexylmethyl)ethanamine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-(cyclohexylmethyl)ethanamine is sourced from PubChem (CID 62597822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).