N-ethyl-2-(1-pent-4-enoxycyclobutyl)ethanamine

C13H25NO — CID 103274239

IUPACN-ethyl-2-(1-pent-4-enoxycyclobutyl)ethanamine
SMILESC=CCCCOC1(CCNCC)CCC1
InChIInChI=1S/C13H25NO/c1-3-5-6-12-15-13(8-7-9-13)10-11-14-4-2/h3,14H,1,4-12H2,2H3
InChIKeyWHAPYUBSOYWWLB-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.89
Rot. Bonds9

About N-ethyl-2-(1-pent-4-enoxycyclobutyl)ethanamine

N-ethyl-2-(1-pent-4-enoxycyclobutyl)ethanamine (PubChem CID 103274239) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-ethyl-2-(1-pent-4-enoxycyclobutyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-pent-4-enoxycyclobutyl)ethanamine
PubChem CID103274239
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-ethyl-2-(1-pent-4-enoxycyclobutyl)ethanamine
SMILESC=CCCCOC1(CCNCC)CCC1
InChIInChI=1S/C13H25NO/c1-3-5-6-12-15-13(8-7-9-13)10-11-14-4-2/h3,14H,1,4-12H2,2H3
InChIKeyWHAPYUBSOYWWLB-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.89
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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Related Compounds

4-But-3-enyl-4-(3-methylbutan-2-yloxy)piperidine
CID 91487037
3-hex-5-enoxy-3-methyl-N-propan-2-ylbutan-1-amine
CID 146434889
N-methyl-1-(3-pent-4-enoxycyclobutyl)methanamine
CID 65989854
N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103272931
N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]propan-1-amine
CID 103272932
2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-ethylethanamine
CID 103272933
2-methyl-N-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-1-amine
CID 103272988
N-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-1-amine
CID 103272989
N-ethyl-2-(1-prop-2-enoxycyclobutyl)ethanamine
CID 103272990
2-methyl-N-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-2-amine
CID 103272991
N-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-2-amine
CID 103272993
N-methyl-2-(1-prop-2-enoxycyclobutyl)ethanamine
CID 103272994

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-pent-4-enoxycyclobutyl)ethanamine?
The IUPAC name of N-ethyl-2-(1-pent-4-enoxycyclobutyl)ethanamine (CID 103274239) is N-ethyl-2-(1-pent-4-enoxycyclobutyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-pent-4-enoxycyclobutyl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-pent-4-enoxycyclobutyl)ethanamine is C=CCCCOC1(CCNCC)CCC1.
What is the InChIKey of N-ethyl-2-(1-pent-4-enoxycyclobutyl)ethanamine?
The InChIKey is WHAPYUBSOYWWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-5-6-12-15-13(8-7-9-13)10-11-14-4-2/h3,14H,1,4-12H2,2H3.
What are the key properties of N-ethyl-2-(1-pent-4-enoxycyclobutyl)ethanamine?
N-ethyl-2-(1-pent-4-enoxycyclobutyl)ethanamine has a molecular weight of 211.35 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-pent-4-enoxycyclobutyl)ethanamine is sourced from PubChem (CID 103274239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).