N-methyl-1-(2H-pyran-4-yl)methanamine

C7H11NO — CID 91312473

IUPACN-methyl-1-(2H-pyran-4-yl)methanamine
SMILESCNCC1=CCOC=C1
InChIInChI=1S/C7H11NO/c1-8-6-7-2-4-9-5-3-7/h2-4,8H,5-6H2,1H3
InChIKeyIHBSRWLZCLPUKC-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.68
Rot. Bonds2

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

N-methyl-1-(2H-pyran-4-yl)methanamine (PubChem CID 91312473) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is N-methyl-1-(2H-pyran-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2H-pyran-4-yl)methanamine
PubChem CID91312473
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC NameN-methyl-1-(2H-pyran-4-yl)methanamine
SMILESCNCC1=CCOC=C1
InChIInChI=1S/C7H11NO/c1-8-6-7-2-4-9-5-3-7/h2-4,8H,5-6H2,1H3
InChIKeyIHBSRWLZCLPUKC-UHFFFAOYSA-N
XLogP0.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2H-pyran-4-yl)methanamine?
The IUPAC name of N-methyl-1-(2H-pyran-4-yl)methanamine (CID 91312473) is N-methyl-1-(2H-pyran-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2H-pyran-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(2H-pyran-4-yl)methanamine is CNCC1=CCOC=C1.
What is the InChIKey of N-methyl-1-(2H-pyran-4-yl)methanamine?
The InChIKey is IHBSRWLZCLPUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-8-6-7-2-4-9-5-3-7/h2-4,8H,5-6H2,1H3.
What are the key properties of N-methyl-1-(2H-pyran-4-yl)methanamine?
N-methyl-1-(2H-pyran-4-yl)methanamine has a molecular weight of 125.17 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2H-pyran-4-yl)methanamine is sourced from PubChem (CID 91312473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).