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

C11H19NO — CID 102647882

IUPAC2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine
SMILESCNC(CC1CC1)C1=CCCCO1
InChIInChI=1S/C11H19NO/c1-12-10(8-9-5-6-9)11-4-2-3-7-13-11/h4,9-10,12H,2-3,5-8H2,1H3
InChIKeyZVVKESCOSPDBQI-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.07
Rot. Bonds4

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

2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine (PubChem CID 102647882) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine
PubChem CID102647882
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine
SMILESCNC(CC1CC1)C1=CCCCO1
InChIInChI=1S/C11H19NO/c1-12-10(8-9-5-6-9)11-4-2-3-7-13-11/h4,9-10,12H,2-3,5-8H2,1H3
InChIKeyZVVKESCOSPDBQI-UHFFFAOYSA-N
XLogP2.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.07
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-methylethanamine?
The IUPAC name of 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine (CID 102647882) is 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine.
What is the SMILES notation for 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine?
The canonical SMILES for 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine is CNC(CC1CC1)C1=CCCCO1.
What is the InChIKey of 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine?
The InChIKey is ZVVKESCOSPDBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-12-10(8-9-5-6-9)11-4-2-3-7-13-11/h4,9-10,12H,2-3,5-8H2,1H3.
What are the key properties of 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine?
2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine has a molecular weight of 181.28 g/mol, XLogP of 2.07, 4 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-methylethanamine is sourced from PubChem (CID 102647882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).