2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine

C12H21NO — CID 102647883

IUPAC2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine
SMILESCCNC(CC1CC1)C1=CCCCO1
InChIInChI=1S/C12H21NO/c1-2-13-11(9-10-6-7-10)12-5-3-4-8-14-12/h5,10-11,13H,2-4,6-9H2,1H3
InChIKeyRHCLLYXDQBOLGC-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.46
Rot. Bonds5

About 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine

2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine (PubChem CID 102647883) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine
PubChem CID102647883
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine
SMILESCCNC(CC1CC1)C1=CCCCO1
InChIInChI=1S/C12H21NO/c1-2-13-11(9-10-6-7-10)12-5-3-4-8-14-12/h5,10-11,13H,2-4,6-9H2,1H3
InChIKeyRHCLLYXDQBOLGC-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine?
The IUPAC name of 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine (CID 102647883) is 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine.
What is the SMILES notation for 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine?
The canonical SMILES for 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine is CCNC(CC1CC1)C1=CCCCO1.
What is the InChIKey of 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine?
The InChIKey is RHCLLYXDQBOLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-13-11(9-10-6-7-10)12-5-3-4-8-14-12/h5,10-11,13H,2-4,6-9H2,1H3.
What are the key properties of 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine?
2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine has a molecular weight of 195.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine is sourced from PubChem (CID 102647883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).