N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine

C15H28N2O — CID 55030830

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCC(C)C(CNCC1CCC=CO1)N1CCCC1
InChIInChI=1S/C15H28N2O/c1-13(2)15(17-8-4-5-9-17)12-16-11-14-7-3-6-10-18-14/h6,10,13-16H,3-5,7-9,11-12H2,1-2H3
InChIKeyJINHIFDKCIYGDJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.39
Rot. Bonds6

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 55030830) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID55030830
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCC(C)C(CNCC1CCC=CO1)N1CCCC1
InChIInChI=1S/C15H28N2O/c1-13(2)15(17-8-4-5-9-17)12-16-11-14-7-3-6-10-18-14/h6,10,13-16H,3-5,7-9,11-12H2,1-2H3
InChIKeyJINHIFDKCIYGDJ-UHFFFAOYSA-N
XLogP2.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-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-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine (CID 55030830) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine is CC(C)C(CNCC1CCC=CO1)N1CCCC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is JINHIFDKCIYGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-13(2)15(17-8-4-5-9-17)12-16-11-14-7-3-6-10-18-14/h6,10,13-16H,3-5,7-9,11-12H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 252.40 g/mol, XLogP of 2.39, 6 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-methyl-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 55030830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).