N,N-dimethyl-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyran-5-yl)methanamine;hydrochloride

C13H19ClN2O — CID 69221757

IUPACN,N-dimethyl-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyran-5-yl)methanamine;hydrochloride
SMILESCN(C)CC1=C(c2cccnc2)CCOC1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-15(2)9-12-10-16-7-5-13(12)11-4-3-6-14-8-11;/h3-4,6,8H,5,7,9-10H2,1-2H3;1H
InChIKeyJUNKIPAUXZQMAC-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.24
Rot. Bonds3

About N,N-dimethyl-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyran-5-yl)methanamine;hydrochloride

N,N-dimethyl-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyran-5-yl)methanamine;hydrochloride (PubChem CID 69221757) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyran-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyran-5-yl)methanamine;hydrochloride
PubChem CID69221757
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN,N-dimethyl-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyran-5-yl)methanamine;hydrochloride
SMILESCN(C)CC1=C(c2cccnc2)CCOC1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-15(2)9-12-10-16-7-5-13(12)11-4-3-6-14-8-11;/h3-4,6,8H,5,7,9-10H2,1-2H3;1H
InChIKeyJUNKIPAUXZQMAC-UHFFFAOYSA-N
XLogP2.24
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyran-5-yl)methanamine;hydrochloride 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,N-dimethyl-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyran-5-yl)methanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyran-5-yl)methanamine;hydrochloride (CID 69221757) is N,N-dimethyl-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyran-5-yl)methanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyran-5-yl)methanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyran-5-yl)methanamine;hydrochloride is CN(C)CC1=C(c2cccnc2)CCOC1.Cl.
What is the InChIKey of N,N-dimethyl-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyran-5-yl)methanamine;hydrochloride?
The InChIKey is JUNKIPAUXZQMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c1-15(2)9-12-10-16-7-5-13(12)11-4-3-6-14-8-11;/h3-4,6,8H,5,7,9-10H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyran-5-yl)methanamine;hydrochloride?
N,N-dimethyl-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyran-5-yl)methanamine;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyran-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 69221757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).