N-(2-but-3-enoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine

C15H29NO2 — CID 106397394

IUPACN-(2-but-3-enoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
SMILESC=CCCOCCNC1CC(OCC)C1(C)CC
InChIInChI=1S/C15H29NO2/c1-5-8-10-17-11-9-16-13-12-14(18-7-3)15(13,4)6-2/h5,13-14,16H,1,6-12H2,2-4H3
InChIKeyRSVJATDAEGQGAJ-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.76
Rot. Bonds10

About N-(2-but-3-enoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine

N-(2-but-3-enoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine (PubChem CID 106397394) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
PubChem CID106397394
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-(2-but-3-enoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
SMILESC=CCCOCCNC1CC(OCC)C1(C)CC
InChIInChI=1S/C15H29NO2/c1-5-8-10-17-11-9-16-13-12-14(18-7-3)15(13,4)6-2/h5,13-14,16H,1,6-12H2,2-4H3
InChIKeyRSVJATDAEGQGAJ-UHFFFAOYSA-N
XLogP2.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.76
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

3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine
CID 65167908
N-(2-butoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65168217
3-ethoxy-N-(1-ethoxypropan-2-yl)-2-ethyl-2-methylcyclobutan-1-amine
CID 65169280
3-ethoxy-2-ethyl-N-(1-methoxybutan-2-yl)-2-methylcyclobutan-1-amine
CID 65169504
3-ethoxy-2-ethyl-N-(1-methoxypentan-2-yl)-2-methylcyclobutan-1-amine
CID 65169506
3-ethoxy-2-ethyl-N-(1-methoxypropan-2-yl)-2-methylcyclobutan-1-amine
CID 65170162
3-ethoxy-2-ethyl-N-(2-methoxyethyl)-2-methylcyclobutan-1-amine
CID 65170259
3-ethoxy-2-ethyl-2-methyl-N-prop-2-enylcyclobutan-1-amine
CID 65170750
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)cyclohex-3-en-1-amine
CID 65702504
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 102613516
3-ethoxy-2-ethyl-N-(2-methoxypropyl)-2-methylcyclobutan-1-amine
CID 102695971
N-(2-but-3-enoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 103922070

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine (CID 106397394) is N-(2-but-3-enoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine is C=CCCOCCNC1CC(OCC)C1(C)CC.
What is the InChIKey of N-(2-but-3-enoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
The InChIKey is RSVJATDAEGQGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-8-10-17-11-9-16-13-12-14(18-7-3)15(13,4)6-2/h5,13-14,16H,1,6-12H2,2-4H3.
What are the key properties of N-(2-but-3-enoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
N-(2-but-3-enoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine has a molecular weight of 255.40 g/mol, XLogP of 2.76, 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)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine is sourced from PubChem (CID 106397394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).