3-methoxy-N-[(2S)-pent-4-en-2-yl]cyclobutan-1-amine

C10H19NO — CID 166665153

IUPAC3-methoxy-N-[(2S)-pent-4-en-2-yl]cyclobutan-1-amine
SMILESC=CC[C@H](C)NC1CC(OC)C1
InChIInChI=1S/C10H19NO/c1-4-5-8(2)11-9-6-10(7-9)12-3/h4,8-11H,1,5-7H2,2-3H3/t8-,9?,10?/m0/s1
InChIKeyULRNVXKYQDWRTI-IDKOKCKLSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds5

About 3-methoxy-N-[(2S)-pent-4-en-2-yl]cyclobutan-1-amine

3-methoxy-N-[(2S)-pent-4-en-2-yl]cyclobutan-1-amine (PubChem CID 166665153) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-methoxy-N-[(2S)-pent-4-en-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(2S)-pent-4-en-2-yl]cyclobutan-1-amine
PubChem CID166665153
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-methoxy-N-[(2S)-pent-4-en-2-yl]cyclobutan-1-amine
SMILESC=CC[C@H](C)NC1CC(OC)C1
InChIInChI=1S/C10H19NO/c1-4-5-8(2)11-9-6-10(7-9)12-3/h4,8-11H,1,5-7H2,2-3H3/t8-,9?,10?/m0/s1
InChIKeyULRNVXKYQDWRTI-IDKOKCKLSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2S)-pent-4-en-2-yl]cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-[(2S)-pent-4-en-2-yl]cyclobutan-1-amine (CID 166665153) is 3-methoxy-N-[(2S)-pent-4-en-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(2S)-pent-4-en-2-yl]cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-[(2S)-pent-4-en-2-yl]cyclobutan-1-amine is C=CC[C@H](C)NC1CC(OC)C1.
What is the InChIKey of 3-methoxy-N-[(2S)-pent-4-en-2-yl]cyclobutan-1-amine?
The InChIKey is ULRNVXKYQDWRTI-IDKOKCKLSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-8(2)11-9-6-10(7-9)12-3/h4,8-11H,1,5-7H2,2-3H3/t8-,9?,10?/m0/s1.
What are the key properties of 3-methoxy-N-[(2S)-pent-4-en-2-yl]cyclobutan-1-amine?
3-methoxy-N-[(2S)-pent-4-en-2-yl]cyclobutan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2S)-pent-4-en-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 166665153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).