N-(2-but-3-enoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

C16H31NO2 — CID 103922073

IUPACN-(2-but-3-enoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESC=CCCOCCNC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C16H31NO2/c1-6-7-9-18-10-8-17-14-11-15(16(14,4)5)19-12-13(2)3/h6,13-15,17H,1,7-12H2,2-5H3
InChIKeyYKTIBKZUXGFYEJ-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.01
Rot. Bonds10

About N-(2-but-3-enoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

N-(2-but-3-enoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (PubChem CID 103922073) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
PubChem CID103922073
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-(2-but-3-enoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESC=CCCOCCNC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C16H31NO2/c1-6-7-9-18-10-8-17-14-11-15(16(14,4)5)19-12-13(2)3/h6,13-15,17H,1,7-12H2,2-5H3
InChIKeyYKTIBKZUXGFYEJ-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2,2-dimethyl-3-(2-methylpropoxy)-N-prop-2-enylcyclobutan-1-amine
CID 64850375
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 102613516
N-(2-but-3-enoxyethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 103922074
N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 103922077
N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 103922078
3-(2-But-3-enoxyethylamino)-2,2-dimethylcyclobutan-1-ol
CID 103952226
3-ethoxy-N-hex-5-en-2-yl-2,2-dimethylcyclobutan-1-amine
CID 104582611
N-hex-5-en-2-yl-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 104582941
N-but-3-enyl-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 105840529
N-but-3-en-2-yl-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 105840598
3-methoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine
CID 105840905
N-(2-but-3-enoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 106397394

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (CID 103922073) is N-(2-but-3-enoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is C=CCCOCCNC1CC(OCC(C)C)C1(C)C.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The InChIKey is YKTIBKZUXGFYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-6-7-9-18-10-8-17-14-11-15(16(14,4)5)19-12-13(2)3/h6,13-15,17H,1,7-12H2,2-5H3.
What are the key properties of N-(2-but-3-enoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
N-(2-but-3-enoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 3.01, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is sourced from PubChem (CID 103922073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).