1-[2,2-dimethyl-3-(oxan-4-yl)cyclopropyl]-N-methylmethanamine

C12H23NO — CID 130488753

IUPAC1-[2,2-dimethyl-3-(oxan-4-yl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1C(C2CCOCC2)C1(C)C
InChIInChI=1S/C12H23NO/c1-12(2)10(8-13-3)11(12)9-4-6-14-7-5-9/h9-11,13H,4-8H2,1-3H3
InChIKeyFTTZIUVHGNAULI-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.90
Rot. Bonds3

About 1-[2,2-dimethyl-3-(oxan-4-yl)cyclopropyl]-N-methylmethanamine

1-[2,2-dimethyl-3-(oxan-4-yl)cyclopropyl]-N-methylmethanamine (PubChem CID 130488753) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-[2,2-dimethyl-3-(oxan-4-yl)cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2,2-dimethyl-3-(oxan-4-yl)cyclopropyl]-N-methylmethanamine
PubChem CID130488753
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-[2,2-dimethyl-3-(oxan-4-yl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1C(C2CCOCC2)C1(C)C
InChIInChI=1S/C12H23NO/c1-12(2)10(8-13-3)11(12)9-4-6-14-7-5-9/h9-11,13H,4-8H2,1-3H3
InChIKeyFTTZIUVHGNAULI-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethyl-3-(oxan-4-yl)cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[2,2-dimethyl-3-(oxan-4-yl)cyclopropyl]-N-methylmethanamine (CID 130488753) is 1-[2,2-dimethyl-3-(oxan-4-yl)cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2,2-dimethyl-3-(oxan-4-yl)cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[2,2-dimethyl-3-(oxan-4-yl)cyclopropyl]-N-methylmethanamine is CNCC1C(C2CCOCC2)C1(C)C.
What is the InChIKey of 1-[2,2-dimethyl-3-(oxan-4-yl)cyclopropyl]-N-methylmethanamine?
The InChIKey is FTTZIUVHGNAULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2)10(8-13-3)11(12)9-4-6-14-7-5-9/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 1-[2,2-dimethyl-3-(oxan-4-yl)cyclopropyl]-N-methylmethanamine?
1-[2,2-dimethyl-3-(oxan-4-yl)cyclopropyl]-N-methylmethanamine has a molecular weight of 197.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-3-(oxan-4-yl)cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 130488753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).