N,N-dimethyl-1-(4H-pyran-2-yl)methanamine

C8H13NO — CID 143512366

IUPACN,N-dimethyl-1-(4H-pyran-2-yl)methanamine
SMILESCN(C)CC1=CCC=CO1
InChIInChI=1S/C8H13NO/c1-9(2)7-8-5-3-4-6-10-8/h4-6H,3,7H2,1-2H3
InChIKeyDFALYQBFUHBPDT-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.37
Rot. Bonds2

About N,N-dimethyl-1-(4H-pyran-2-yl)methanamine

N,N-dimethyl-1-(4H-pyran-2-yl)methanamine (PubChem CID 143512366) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N,N-dimethyl-1-(4H-pyran-2-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4H-pyran-2-yl)methanamine
PubChem CID143512366
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN,N-dimethyl-1-(4H-pyran-2-yl)methanamine
SMILESCN(C)CC1=CCC=CO1
InChIInChI=1S/C8H13NO/c1-9(2)7-8-5-3-4-6-10-8/h4-6H,3,7H2,1-2H3
InChIKeyDFALYQBFUHBPDT-UHFFFAOYSA-N
XLogP1.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4H-pyran-2-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(4H-pyran-2-yl)methanamine (CID 143512366) is N,N-dimethyl-1-(4H-pyran-2-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(4H-pyran-2-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(4H-pyran-2-yl)methanamine is CN(C)CC1=CCC=CO1.
What is the InChIKey of N,N-dimethyl-1-(4H-pyran-2-yl)methanamine?
The InChIKey is DFALYQBFUHBPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-9(2)7-8-5-3-4-6-10-8/h4-6H,3,7H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(4H-pyran-2-yl)methanamine?
N,N-dimethyl-1-(4H-pyran-2-yl)methanamine has a molecular weight of 139.20 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4H-pyran-2-yl)methanamine is sourced from PubChem (CID 143512366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).