2-ethyl-N-pent-3-ynyloxan-4-amine

C12H21NO — CID 116642789

IUPAC2-ethyl-N-pent-3-ynyloxan-4-amine
SMILESCC#CCCNC1CCOC(CC)C1
InChIInChI=1S/C12H21NO/c1-3-5-6-8-13-11-7-9-14-12(4-2)10-11/h11-13H,4,6-10H2,1-2H3
InChIKeyWDBVFNLYCNARHS-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.95
Rot. Bonds4

About 2-ethyl-N-pent-3-ynyloxan-4-amine

2-ethyl-N-pent-3-ynyloxan-4-amine (PubChem CID 116642789) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-ethyl-N-pent-3-ynyloxan-4-amine.

Molecular Properties

Compound Name2-ethyl-N-pent-3-ynyloxan-4-amine
PubChem CID116642789
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-ethyl-N-pent-3-ynyloxan-4-amine
SMILESCC#CCCNC1CCOC(CC)C1
InChIInChI=1S/C12H21NO/c1-3-5-6-8-13-11-7-9-14-12(4-2)10-11/h11-13H,4,6-10H2,1-2H3
InChIKeyWDBVFNLYCNARHS-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(Tert-butoxy)ethyl]piperidine
CID 10797616
Methyl[2-(oxan-2-yl)ethyl]amine
CID 45791005
N,2,6-trimethyloxan-4-amine
CID 70343666
1-(a-Tetrahydrofuryl)-2-ethylaminopropane
CID 60817983
2-propyl-N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 64102493
2-ethyl-N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 64102694
2-propyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 64106097
2-ethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 64106295
2-[2-(1,1,1-Trifluoropropan-2-yloxy)ethyl]piperidine
CID 66275246
2,6-dimethyl-N-(5,5,5-trifluoropentyl)oxan-4-amine
CID 81852026
N-(3-fluoropropyl)-2-propyloxan-4-amine
CID 103991397
4,4,4-trifluoro-N-[2-(oxan-2-yl)ethyl]butan-2-amine
CID 104007058

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-pent-3-ynyloxan-4-amine?
The IUPAC name of 2-ethyl-N-pent-3-ynyloxan-4-amine (CID 116642789) is 2-ethyl-N-pent-3-ynyloxan-4-amine.
What is the SMILES notation for 2-ethyl-N-pent-3-ynyloxan-4-amine?
The canonical SMILES for 2-ethyl-N-pent-3-ynyloxan-4-amine is CC#CCCNC1CCOC(CC)C1.
What is the InChIKey of 2-ethyl-N-pent-3-ynyloxan-4-amine?
The InChIKey is WDBVFNLYCNARHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-5-6-8-13-11-7-9-14-12(4-2)10-11/h11-13H,4,6-10H2,1-2H3.
What are the key properties of 2-ethyl-N-pent-3-ynyloxan-4-amine?
2-ethyl-N-pent-3-ynyloxan-4-amine has a molecular weight of 195.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-pent-3-ynyloxan-4-amine is sourced from PubChem (CID 116642789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).