2,2-dimethyl-3,4-dihydropyran-4-amine

C7H13NO — CID 57194718

IUPAC2,2-dimethyl-3,4-dihydropyran-4-amine
SMILESCC1(C)CC(N)C=CO1
InChIInChI=1S/C7H13NO/c1-7(2)5-6(8)3-4-9-7/h3-4,6H,5,8H2,1-2H3
InChIKeyMHJDZSHOAFGLLB-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.03
Rot. Bonds

About 2,2-dimethyl-3,4-dihydropyran-4-amine

2,2-dimethyl-3,4-dihydropyran-4-amine (PubChem CID 57194718) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2,2-dimethyl-3,4-dihydropyran-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-3,4-dihydropyran-4-amine
PubChem CID57194718
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2,2-dimethyl-3,4-dihydropyran-4-amine
SMILESCC1(C)CC(N)C=CO1
InChIInChI=1S/C7H13NO/c1-7(2)5-6(8)3-4-9-7/h3-4,6H,5,8H2,1-2H3
InChIKeyMHJDZSHOAFGLLB-UHFFFAOYSA-N
XLogP1.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3,4-dihydropyran-4-amine?
The IUPAC name of 2,2-dimethyl-3,4-dihydropyran-4-amine (CID 57194718) is 2,2-dimethyl-3,4-dihydropyran-4-amine.
What is the SMILES notation for 2,2-dimethyl-3,4-dihydropyran-4-amine?
The canonical SMILES for 2,2-dimethyl-3,4-dihydropyran-4-amine is CC1(C)CC(N)C=CO1.
What is the InChIKey of 2,2-dimethyl-3,4-dihydropyran-4-amine?
The InChIKey is MHJDZSHOAFGLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-7(2)5-6(8)3-4-9-7/h3-4,6H,5,8H2,1-2H3.
What are the key properties of 2,2-dimethyl-3,4-dihydropyran-4-amine?
2,2-dimethyl-3,4-dihydropyran-4-amine has a molecular weight of 127.19 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,4-dihydropyran-4-amine is sourced from PubChem (CID 57194718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).