3-(2-but-3-enoxyethylamino)-2,2-dimethylcyclobutan-1-ol

C12H23NO2 — CID 103952226

IUPAC3-(2-but-3-enoxyethylamino)-2,2-dimethylcyclobutan-1-ol
SMILESC=CCCOCCNC1CC(O)C1(C)C
InChIInChI=1S/C12H23NO2/c1-4-5-7-15-8-6-13-10-9-11(14)12(10,2)3/h4,10-11,13-14H,1,5-9H2,2-3H3
InChIKeyWHUWCPZMRCYLTL-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.33
Rot. Bonds7

About 3-(2-but-3-enoxyethylamino)-2,2-dimethylcyclobutan-1-ol

3-(2-but-3-enoxyethylamino)-2,2-dimethylcyclobutan-1-ol (PubChem CID 103952226) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(2-but-3-enoxyethylamino)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(2-but-3-enoxyethylamino)-2,2-dimethylcyclobutan-1-ol
PubChem CID103952226
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-(2-but-3-enoxyethylamino)-2,2-dimethylcyclobutan-1-ol
SMILESC=CCCOCCNC1CC(O)C1(C)C
InChIInChI=1S/C12H23NO2/c1-4-5-7-15-8-6-13-10-9-11(14)12(10,2)3/h4,10-11,13-14H,1,5-9H2,2-3H3
InChIKeyWHUWCPZMRCYLTL-UHFFFAOYSA-N
XLogP1.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
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

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 102613516
3-[2-(3-Methoxypropoxy)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 103179563
3-[(1-Ethoxy-3-methylbutan-2-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 103271627
N-(2-but-3-enoxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 103922073
1-(Hex-5-en-2-ylamino)-4,4-dimethylpentan-2-ol
CID 104582544
3-ethoxy-N-hex-5-en-2-yl-2,2-dimethylcyclobutan-1-amine
CID 104582611
2,2-Dimethyl-3-(2-propan-2-yloxyethylamino)cyclobutan-1-ol
CID 104584797
2-[(3-Ethoxy-2,2-dimethylcyclobutyl)amino]-3-methoxypropan-1-ol
CID 105650482
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4,4-dimethylpentan-1-ol
CID 106349146
N-(2-but-3-enoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 106397394
2-[(2-But-3-enoxyethylamino)methyl]-2-ethylbutan-1-ol
CID 106397580
2,2-Dimethyl-3-(2-propoxyethylamino)cyclobutan-1-ol
CID 106452629

Frequently Asked Questions

What is the IUPAC name of 3-(2-but-3-enoxyethylamino)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-(2-but-3-enoxyethylamino)-2,2-dimethylcyclobutan-1-ol (CID 103952226) is 3-(2-but-3-enoxyethylamino)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-(2-but-3-enoxyethylamino)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-(2-but-3-enoxyethylamino)-2,2-dimethylcyclobutan-1-ol is C=CCCOCCNC1CC(O)C1(C)C.
What is the InChIKey of 3-(2-but-3-enoxyethylamino)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is WHUWCPZMRCYLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-5-7-15-8-6-13-10-9-11(14)12(10,2)3/h4,10-11,13-14H,1,5-9H2,2-3H3.
What are the key properties of 3-(2-but-3-enoxyethylamino)-2,2-dimethylcyclobutan-1-ol?
3-(2-but-3-enoxyethylamino)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-but-3-enoxyethylamino)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 103952226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).