3-(3,4-dihydro-2H-pyran-2-yl)-N-ethylprop-2-en-1-amine

C10H17NO — CID 79347559

IUPAC3-(3,4-dihydro-2H-pyran-2-yl)-N-ethylprop-2-en-1-amine
SMILESCCNCC=CC1CCC=CO1
InChIInChI=1S/C10H17NO/c1-2-11-8-5-7-10-6-3-4-9-12-10/h4-5,7,9-11H,2-3,6,8H2,1H3
InChIKeyFKNONVNYPKEOFO-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.84
Rot. Bonds4

About 3-(3,4-dihydro-2H-pyran-2-yl)-N-ethylprop-2-en-1-amine

3-(3,4-dihydro-2H-pyran-2-yl)-N-ethylprop-2-en-1-amine (PubChem CID 79347559) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyran-2-yl)-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyran-2-yl)-N-ethylprop-2-en-1-amine
PubChem CID79347559
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-(3,4-dihydro-2H-pyran-2-yl)-N-ethylprop-2-en-1-amine
SMILESCCNCC=CC1CCC=CO1
InChIInChI=1S/C10H17NO/c1-2-11-8-5-7-10-6-3-4-9-12-10/h4-5,7,9-11H,2-3,6,8H2,1H3
InChIKeyFKNONVNYPKEOFO-UHFFFAOYSA-N
XLogP1.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(Z)-4-methoxyhept-2-en-1-amine
CID 89073845
(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene
CID 144515525
(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-diene
CID 144515548
(Z,4R)-N-ethyl-4-methoxyhex-2-en-1-amine
CID 145602396
(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine
CID 79321693
3-(3,4-dihydro-2H-pyran-2-yl)prop-2-en-1-amine
CID 79324198
(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-(2-methylpropyl)butan-1-amine
CID 79328688
(2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine
CID 79329235
(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-ethylbutan-1-amine
CID 79329300
(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-methylbutan-1-amine
CID 79329739
(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-propylbutan-1-amine
CID 79329893
(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-propan-2-ylbutan-1-amine
CID 79329906

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyran-2-yl)-N-ethylprop-2-en-1-amine?
The IUPAC name of 3-(3,4-dihydro-2H-pyran-2-yl)-N-ethylprop-2-en-1-amine (CID 79347559) is 3-(3,4-dihydro-2H-pyran-2-yl)-N-ethylprop-2-en-1-amine.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyran-2-yl)-N-ethylprop-2-en-1-amine?
The canonical SMILES for 3-(3,4-dihydro-2H-pyran-2-yl)-N-ethylprop-2-en-1-amine is CCNCC=CC1CCC=CO1.
What is the InChIKey of 3-(3,4-dihydro-2H-pyran-2-yl)-N-ethylprop-2-en-1-amine?
The InChIKey is FKNONVNYPKEOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-11-8-5-7-10-6-3-4-9-12-10/h4-5,7,9-11H,2-3,6,8H2,1H3.
What are the key properties of 3-(3,4-dihydro-2H-pyran-2-yl)-N-ethylprop-2-en-1-amine?
3-(3,4-dihydro-2H-pyran-2-yl)-N-ethylprop-2-en-1-amine has a molecular weight of 167.25 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyran-2-yl)-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 79347559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).