N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropan-1-amine

C12H23NO2 — CID 62066146

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCC1CCC=CO1
InChIInChI=1S/C12H23NO2/c1-11(2)14-9-5-7-13-10-12-6-3-4-8-15-12/h4,8,11-13H,3,5-7,9-10H2,1-2H3
InChIKeyRKLDRRQFEWUHEI-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.08
Rot. Bonds7

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropan-1-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropan-1-amine (PubChem CID 62066146) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropan-1-amine
PubChem CID62066146
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCC1CCC=CO1
InChIInChI=1S/C12H23NO2/c1-11(2)14-9-5-7-13-10-12-6-3-4-8-15-12/h4,8,11-13H,3,5-7,9-10H2,1-2H3
InChIKeyRKLDRRQFEWUHEI-UHFFFAOYSA-N
XLogP2.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropan-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-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropan-1-amine (CID 62066146) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropan-1-amine is CC(C)OCCCNCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropan-1-amine?
The InChIKey is RKLDRRQFEWUHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(2)14-9-5-7-13-10-12-6-3-4-8-15-12/h4,8,11-13H,3,5-7,9-10H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 62066146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).