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

C10H17NO — CID 102647881

IUPAC2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
SMILESNC(CC1CC1)C1=CCCCO1
InChIInChI=1S/C10H17NO/c11-9(7-8-4-5-8)10-3-1-2-6-12-10/h3,8-9H,1-2,4-7,11H2
InChIKeyQDECVPAITBWMGJ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.81
Rot. Bonds3

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

2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine (PubChem CID 102647881) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
PubChem CID102647881
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
SMILESNC(CC1CC1)C1=CCCCO1
InChIInChI=1S/C10H17NO/c11-9(7-8-4-5-8)10-3-1-2-6-12-10/h3,8-9H,1-2,4-7,11H2
InChIKeyQDECVPAITBWMGJ-UHFFFAOYSA-N
XLogP1.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
The IUPAC name of 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine (CID 102647881) is 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
The canonical SMILES for 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine is NC(CC1CC1)C1=CCCCO1.
What is the InChIKey of 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
The InChIKey is QDECVPAITBWMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c11-9(7-8-4-5-8)10-3-1-2-6-12-10/h3,8-9H,1-2,4-7,11H2.
What are the key properties of 2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine has a molecular weight of 167.25 g/mol, XLogP of 1.81, 3 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)ethanamine is sourced from PubChem (CID 102647881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).