2-(methoxymethyl)-1,2-dimethyl-4,4a,5,6,7,8,9,9a-octahydro-3H-cyclohepta[b]pyridin-5-amine

C14H28N2O — CID 166461807

IUPAC2-(methoxymethyl)-1,2-dimethyl-4,4a,5,6,7,8,9,9a-octahydro-3H-cyclohepta[b]pyridin-5-amine
SMILESCOCC1(C)CCC2C(N)CCCCC2N1C
InChIInChI=1S/C14H28N2O/c1-14(10-17-3)9-8-11-12(15)6-4-5-7-13(11)16(14)2/h11-13H,4-10,15H2,1-3H3
InChIKeyCSROTWQSXXFDMZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.00
Rot. Bonds2

About 2-(methoxymethyl)-1,2-dimethyl-4,4a,5,6,7,8,9,9a-octahydro-3H-cyclohepta[b]pyridin-5-amine

2-(methoxymethyl)-1,2-dimethyl-4,4a,5,6,7,8,9,9a-octahydro-3H-cyclohepta[b]pyridin-5-amine (PubChem CID 166461807) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(methoxymethyl)-1,2-dimethyl-4,4a,5,6,7,8,9,9a-octahydro-3H-cyclohepta[b]pyridin-5-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-1,2-dimethyl-4,4a,5,6,7,8,9,9a-octahydro-3H-cyclohepta[b]pyridin-5-amine
PubChem CID166461807
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-(methoxymethyl)-1,2-dimethyl-4,4a,5,6,7,8,9,9a-octahydro-3H-cyclohepta[b]pyridin-5-amine
SMILESCOCC1(C)CCC2C(N)CCCCC2N1C
InChIInChI=1S/C14H28N2O/c1-14(10-17-3)9-8-11-12(15)6-4-5-7-13(11)16(14)2/h11-13H,4-10,15H2,1-3H3
InChIKeyCSROTWQSXXFDMZ-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1,2-dimethyl-4,4a,5,6,7,8,9,9a-octahydro-3H-cyclohepta[b]pyridin-5-amine?
The IUPAC name of 2-(methoxymethyl)-1,2-dimethyl-4,4a,5,6,7,8,9,9a-octahydro-3H-cyclohepta[b]pyridin-5-amine (CID 166461807) is 2-(methoxymethyl)-1,2-dimethyl-4,4a,5,6,7,8,9,9a-octahydro-3H-cyclohepta[b]pyridin-5-amine.
What is the SMILES notation for 2-(methoxymethyl)-1,2-dimethyl-4,4a,5,6,7,8,9,9a-octahydro-3H-cyclohepta[b]pyridin-5-amine?
The canonical SMILES for 2-(methoxymethyl)-1,2-dimethyl-4,4a,5,6,7,8,9,9a-octahydro-3H-cyclohepta[b]pyridin-5-amine is COCC1(C)CCC2C(N)CCCCC2N1C.
What is the InChIKey of 2-(methoxymethyl)-1,2-dimethyl-4,4a,5,6,7,8,9,9a-octahydro-3H-cyclohepta[b]pyridin-5-amine?
The InChIKey is CSROTWQSXXFDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(10-17-3)9-8-11-12(15)6-4-5-7-13(11)16(14)2/h11-13H,4-10,15H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-1,2-dimethyl-4,4a,5,6,7,8,9,9a-octahydro-3H-cyclohepta[b]pyridin-5-amine?
2-(methoxymethyl)-1,2-dimethyl-4,4a,5,6,7,8,9,9a-octahydro-3H-cyclohepta[b]pyridin-5-amine has a molecular weight of 240.39 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1,2-dimethyl-4,4a,5,6,7,8,9,9a-octahydro-3H-cyclohepta[b]pyridin-5-amine is sourced from PubChem (CID 166461807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).