3-ethoxy-2-methoxy-N-pent-1-yn-3-ylcyclobutan-1-amine

C12H21NO2 — CID 106225373

IUPAC3-ethoxy-2-methoxy-N-pent-1-yn-3-ylcyclobutan-1-amine
SMILESC#CC(CC)NC1CC(OCC)C1OC
InChIInChI=1S/C12H21NO2/c1-5-9(6-2)13-10-8-11(15-7-3)12(10)14-4/h1,9-13H,6-8H2,2-4H3
InChIKeyPUGDYUQRCLDHAS-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.18
Rot. Bonds6

About 3-ethoxy-2-methoxy-N-pent-1-yn-3-ylcyclobutan-1-amine

3-ethoxy-2-methoxy-N-pent-1-yn-3-ylcyclobutan-1-amine (PubChem CID 106225373) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-ethoxy-2-methoxy-N-pent-1-yn-3-ylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-methoxy-N-pent-1-yn-3-ylcyclobutan-1-amine
PubChem CID106225373
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-ethoxy-2-methoxy-N-pent-1-yn-3-ylcyclobutan-1-amine
SMILESC#CC(CC)NC1CC(OCC)C1OC
InChIInChI=1S/C12H21NO2/c1-5-9(6-2)13-10-8-11(15-7-3)12(10)14-4/h1,9-13H,6-8H2,2-4H3
InChIKeyPUGDYUQRCLDHAS-UHFFFAOYSA-N
XLogP1.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-(3-ethoxy-2-methoxycyclobutyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 113364970
(2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-phenylethanol
CID 107862265
3-ethoxy-2-methoxy-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine
CID 104759373
3-ethoxy-2-methoxy-N-(5-methylhexyl)cyclobutan-1-amine
CID 113365056
N-(2,3-dimethoxypropyl)-3-ethoxy-2-methoxycyclobutan-1-amine
CID 114099390
(2S)-2-[(3-ethoxy-2-methoxycyclobutyl)amino]-3-phenylpropan-1-ol
CID 107862441
3-[(3-ethoxy-2-methoxycyclobutyl)amino]-1,1,1-trifluoropropan-2-ol
CID 113365383
4-[(3-ethoxy-2-methoxycyclobutyl)amino]cyclohexan-1-ol
CID 113364868
2-[(3-ethoxy-2-methoxycyclobutyl)amino]-2-ethylpropane-1,3-diol
CID 113365396
3-ethoxy-N-(2-ethylsulfonylethyl)-2-methoxycyclobutan-1-amine
CID 114110576
3-ethoxy-2-methoxy-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine
CID 113364998
3-ethoxy-2-methoxy-N-(oxan-4-ylmethyl)cyclobutan-1-amine
CID 113364997

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-methoxy-N-pent-1-yn-3-ylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-methoxy-N-pent-1-yn-3-ylcyclobutan-1-amine (CID 106225373) is 3-ethoxy-2-methoxy-N-pent-1-yn-3-ylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-methoxy-N-pent-1-yn-3-ylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-methoxy-N-pent-1-yn-3-ylcyclobutan-1-amine is C#CC(CC)NC1CC(OCC)C1OC.
What is the InChIKey of 3-ethoxy-2-methoxy-N-pent-1-yn-3-ylcyclobutan-1-amine?
The InChIKey is PUGDYUQRCLDHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-5-9(6-2)13-10-8-11(15-7-3)12(10)14-4/h1,9-13H,6-8H2,2-4H3.
What are the key properties of 3-ethoxy-2-methoxy-N-pent-1-yn-3-ylcyclobutan-1-amine?
3-ethoxy-2-methoxy-N-pent-1-yn-3-ylcyclobutan-1-amine has a molecular weight of 211.30 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-methoxy-N-pent-1-yn-3-ylcyclobutan-1-amine is sourced from PubChem (CID 106225373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).