N-[2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine

C13H23NO — CID 102647884

IUPACN-[2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC1)C1=CCCCO1
InChIInChI=1S/C13H23NO/c1-2-8-14-12(10-11-6-7-11)13-5-3-4-9-15-13/h5,11-12,14H,2-4,6-10H2,1H3
InChIKeyXQYDMLSLVZDJPU-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.85
Rot. Bonds6

About N-[2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine

N-[2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine (PubChem CID 102647884) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine
PubChem CID102647884
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC1)C1=CCCCO1
InChIInChI=1S/C13H23NO/c1-2-8-14-12(10-11-6-7-11)13-5-3-4-9-15-13/h5,11-12,14H,2-4,6-10H2,1H3
InChIKeyXQYDMLSLVZDJPU-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine 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 N-[2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine (CID 102647884) is N-[2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine is CCCNC(CC1CC1)C1=CCCCO1.
What is the InChIKey of N-[2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine?
The InChIKey is XQYDMLSLVZDJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-8-14-12(10-11-6-7-11)13-5-3-4-9-15-13/h5,11-12,14H,2-4,6-10H2,1H3.
What are the key properties of N-[2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine?
N-[2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]propan-1-amine is sourced from PubChem (CID 102647884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).