N-ethyl-3,6-dihydro-2H-pyran-2-amine

C7H13NO — CID 143576066

IUPACN-ethyl-3,6-dihydro-2H-pyran-2-amine
SMILESCCNC1CC=CCO1
InChIInChI=1S/C7H13NO/c1-2-8-7-5-3-4-6-9-7/h3-4,7-8H,2,5-6H2,1H3
InChIKeyVCFUPCMWIVDVQE-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.90
Rot. Bonds2

About N-ethyl-3,6-dihydro-2H-pyran-2-amine

N-ethyl-3,6-dihydro-2H-pyran-2-amine (PubChem CID 143576066) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-ethyl-3,6-dihydro-2H-pyran-2-amine.

Molecular Properties

Compound NameN-ethyl-3,6-dihydro-2H-pyran-2-amine
PubChem CID143576066
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-ethyl-3,6-dihydro-2H-pyran-2-amine
SMILESCCNC1CC=CCO1
InChIInChI=1S/C7H13NO/c1-2-8-7-5-3-4-6-9-7/h3-4,7-8H,2,5-6H2,1H3
InChIKeyVCFUPCMWIVDVQE-UHFFFAOYSA-N
XLogP0.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-dihydro-2H-pyran-2-amine
CID 53649462
6-Methoxy-1,2,3,6-tetrahydropyridine
CID 70426649
6-Methoxy-3-methyl-1,2,3,6-tetrahydropyridine
CID 89642580
N-methyl-3,6-dihydro-2H-pyran-2-amine
CID 121271675
N-(pent-2-enoxymethyl)ethanamine
CID 122608179
2-Methoxy-1,2,3,6-tetrahydropyridine
CID 141056370
6-methoxy-3,3-dimethyl-2,6-dihydro-1H-pyridine
CID 143591895
(E)-5-methoxy-N-methylpent-3-en-1-amine
CID 143749097
1-(3,6-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 143974279
3,6-dihydro-2H-pyran-6-amine
CID 151181281
2,6-Dimethoxy-1,2,3,6-tetrahydropyridine
CID 160599293
N-methyl-3,6-dihydro-2H-pyran-6-amine
CID 164081815

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,6-dihydro-2H-pyran-2-amine?
The IUPAC name of N-ethyl-3,6-dihydro-2H-pyran-2-amine (CID 143576066) is N-ethyl-3,6-dihydro-2H-pyran-2-amine.
What is the SMILES notation for N-ethyl-3,6-dihydro-2H-pyran-2-amine?
The canonical SMILES for N-ethyl-3,6-dihydro-2H-pyran-2-amine is CCNC1CC=CCO1.
What is the InChIKey of N-ethyl-3,6-dihydro-2H-pyran-2-amine?
The InChIKey is VCFUPCMWIVDVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-8-7-5-3-4-6-9-7/h3-4,7-8H,2,5-6H2,1H3.
What are the key properties of N-ethyl-3,6-dihydro-2H-pyran-2-amine?
N-ethyl-3,6-dihydro-2H-pyran-2-amine has a molecular weight of 127.19 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,6-dihydro-2H-pyran-2-amine is sourced from PubChem (CID 143576066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).