1-(4-ethoxyoxan-4-yl)pent-3-yn-1-amine

C12H21NO2 — CID 116765527

IUPAC1-(4-ethoxyoxan-4-yl)pent-3-yn-1-amine
SMILESCC#CCC(N)C1(OCC)CCOCC1
InChIInChI=1S/C12H21NO2/c1-3-5-6-11(13)12(15-4-2)7-9-14-10-8-12/h11H,4,6-10,13H2,1-2H3
InChIKeyOWGSJWWCNGEMJP-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.31
Rot. Bonds4

About 1-(4-ethoxyoxan-4-yl)pent-3-yn-1-amine

1-(4-ethoxyoxan-4-yl)pent-3-yn-1-amine (PubChem CID 116765527) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(4-ethoxyoxan-4-yl)pent-3-yn-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyoxan-4-yl)pent-3-yn-1-amine
PubChem CID116765527
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(4-ethoxyoxan-4-yl)pent-3-yn-1-amine
SMILESCC#CCC(N)C1(OCC)CCOCC1
InChIInChI=1S/C12H21NO2/c1-3-5-6-11(13)12(15-4-2)7-9-14-10-8-12/h11H,4,6-10,13H2,1-2H3
InChIKeyOWGSJWWCNGEMJP-UHFFFAOYSA-N
XLogP1.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.31
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

1-(4-ethoxyoxan-4-yl)-2-propoxyethanamine
CID 116765540
1-(1-ethoxycyclohexyl)hex-4-yn-1-amine
CID 116763508
1-(4-methoxyoxan-4-yl)-5,5-dimethylhex-3-yn-1-amine
CID 114190361
1-(4-ethoxyoxan-4-yl)-4-methoxy-4-methylpentan-1-amine
CID 103036117
1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-amine
CID 107896923
cyclopentyl-(4-ethoxyoxan-4-yl)methanamine
CID 116765524
1-(1-ethoxycyclopentyl)-3-methylhexan-1-amine
CID 116761668
1-(1-ethoxycycloheptyl)-3-methylhexan-1-amine
CID 116770638
1-(4-ethoxyoxan-4-yl)propylhydrazine
CID 105276867
2-(3,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine
CID 116765394
(4-ethoxyoxan-4-yl)-phenylmethanamine
CID 116765292
(1S)-1-(1-ethoxycyclohexyl)butan-1-amine
CID 104932321

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyoxan-4-yl)pent-3-yn-1-amine?
The IUPAC name of 1-(4-ethoxyoxan-4-yl)pent-3-yn-1-amine (CID 116765527) is 1-(4-ethoxyoxan-4-yl)pent-3-yn-1-amine.
What is the SMILES notation for 1-(4-ethoxyoxan-4-yl)pent-3-yn-1-amine?
The canonical SMILES for 1-(4-ethoxyoxan-4-yl)pent-3-yn-1-amine is CC#CCC(N)C1(OCC)CCOCC1.
What is the InChIKey of 1-(4-ethoxyoxan-4-yl)pent-3-yn-1-amine?
The InChIKey is OWGSJWWCNGEMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-5-6-11(13)12(15-4-2)7-9-14-10-8-12/h11H,4,6-10,13H2,1-2H3.
What are the key properties of 1-(4-ethoxyoxan-4-yl)pent-3-yn-1-amine?
1-(4-ethoxyoxan-4-yl)pent-3-yn-1-amine has a molecular weight of 211.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyoxan-4-yl)pent-3-yn-1-amine is sourced from PubChem (CID 116765527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).