2-(methoxymethyl)-1,2,5-trimethyl-3,4,4a,6,7,8,9,9a-octahydrocyclohepta[b]pyridin-5-amine

C15H30N2O — CID 156533465

IUPAC2-(methoxymethyl)-1,2,5-trimethyl-3,4,4a,6,7,8,9,9a-octahydrocyclohepta[b]pyridin-5-amine
SMILESCOCC1(C)CCC2C(CCCCC2(C)N)N1C
InChIInChI=1S/C15H30N2O/c1-14(11-18-4)10-8-12-13(17(14)3)7-5-6-9-15(12,2)16/h12-13H,5-11,16H2,1-4H3
InChIKeyDVGIRKHCLNYHQG-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.39
Rot. Bonds2

About 2-(methoxymethyl)-1,2,5-trimethyl-3,4,4a,6,7,8,9,9a-octahydrocyclohepta[b]pyridin-5-amine

2-(methoxymethyl)-1,2,5-trimethyl-3,4,4a,6,7,8,9,9a-octahydrocyclohepta[b]pyridin-5-amine (PubChem CID 156533465) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(methoxymethyl)-1,2,5-trimethyl-3,4,4a,6,7,8,9,9a-octahydrocyclohepta[b]pyridin-5-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-1,2,5-trimethyl-3,4,4a,6,7,8,9,9a-octahydrocyclohepta[b]pyridin-5-amine
PubChem CID156533465
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-(methoxymethyl)-1,2,5-trimethyl-3,4,4a,6,7,8,9,9a-octahydrocyclohepta[b]pyridin-5-amine
SMILESCOCC1(C)CCC2C(CCCCC2(C)N)N1C
InChIInChI=1S/C15H30N2O/c1-14(11-18-4)10-8-12-13(17(14)3)7-5-6-9-15(12,2)16/h12-13H,5-11,16H2,1-4H3
InChIKeyDVGIRKHCLNYHQG-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1,2,5-trimethyl-3,4,4a,6,7,8,9,9a-octahydrocyclohepta[b]pyridin-5-amine?
The IUPAC name of 2-(methoxymethyl)-1,2,5-trimethyl-3,4,4a,6,7,8,9,9a-octahydrocyclohepta[b]pyridin-5-amine (CID 156533465) is 2-(methoxymethyl)-1,2,5-trimethyl-3,4,4a,6,7,8,9,9a-octahydrocyclohepta[b]pyridin-5-amine.
What is the SMILES notation for 2-(methoxymethyl)-1,2,5-trimethyl-3,4,4a,6,7,8,9,9a-octahydrocyclohepta[b]pyridin-5-amine?
The canonical SMILES for 2-(methoxymethyl)-1,2,5-trimethyl-3,4,4a,6,7,8,9,9a-octahydrocyclohepta[b]pyridin-5-amine is COCC1(C)CCC2C(CCCCC2(C)N)N1C.
What is the InChIKey of 2-(methoxymethyl)-1,2,5-trimethyl-3,4,4a,6,7,8,9,9a-octahydrocyclohepta[b]pyridin-5-amine?
The InChIKey is DVGIRKHCLNYHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-14(11-18-4)10-8-12-13(17(14)3)7-5-6-9-15(12,2)16/h12-13H,5-11,16H2,1-4H3.
What are the key properties of 2-(methoxymethyl)-1,2,5-trimethyl-3,4,4a,6,7,8,9,9a-octahydrocyclohepta[b]pyridin-5-amine?
2-(methoxymethyl)-1,2,5-trimethyl-3,4,4a,6,7,8,9,9a-octahydrocyclohepta[b]pyridin-5-amine has a molecular weight of 254.42 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1,2,5-trimethyl-3,4,4a,6,7,8,9,9a-octahydrocyclohepta[b]pyridin-5-amine is sourced from PubChem (CID 156533465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).