1-(5-ethoxy-3-pyridinyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine

C17H28N2O2 — CID 116770057

IUPAC1-(5-ethoxy-3-pyridinyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
SMILESCCOc1cncc(C(NC)C2(OC)CCCCCC2)c1
InChIInChI=1S/C17H28N2O2/c1-4-21-15-11-14(12-19-13-15)16(18-2)17(20-3)9-7-5-6-8-10-17/h11-13,16,18H,4-10H2,1-3H3
InChIKeyHFDOBVDHMCEMMK-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.48
Rot. Bonds6

About 1-(5-ethoxy-3-pyridinyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine

1-(5-ethoxy-3-pyridinyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine (PubChem CID 116770057) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(5-ethoxy-3-pyridinyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-ethoxy-3-pyridinyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
PubChem CID116770057
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(5-ethoxy-3-pyridinyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
SMILESCCOc1cncc(C(NC)C2(OC)CCCCCC2)c1
InChIInChI=1S/C17H28N2O2/c1-4-21-15-11-14(12-19-13-15)16(18-2)17(20-3)9-7-5-6-8-10-17/h11-13,16,18H,4-10H2,1-3H3
InChIKeyHFDOBVDHMCEMMK-UHFFFAOYSA-N
XLogP3.48
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethoxy-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116767768
1-(1-ethoxycycloheptyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 116770894
N-methyl-1-(1-methylcyclopentyl)-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026977
N-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 116763272
N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 116714615
N-[(1-methoxycyclopentyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 113432853
N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 116714896
1-(1-methoxycyclohexyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116762916
[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105275994
1-(3,5-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 116761840
(1-ethoxycycloheptyl)-(5-methoxy-3-pyridinyl)methanamine
CID 116770623
1-(5-ethoxy-3-pyridinyl)-2,2-difluoro-N-methylethanamine
CID 103517001

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-3-pyridinyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine?
The IUPAC name of 1-(5-ethoxy-3-pyridinyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine (CID 116770057) is 1-(5-ethoxy-3-pyridinyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-ethoxy-3-pyridinyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-ethoxy-3-pyridinyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine is CCOc1cncc(C(NC)C2(OC)CCCCCC2)c1.
What is the InChIKey of 1-(5-ethoxy-3-pyridinyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine?
The InChIKey is HFDOBVDHMCEMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-21-15-11-14(12-19-13-15)16(18-2)17(20-3)9-7-5-6-8-10-17/h11-13,16,18H,4-10H2,1-3H3.
What are the key properties of 1-(5-ethoxy-3-pyridinyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine?
1-(5-ethoxy-3-pyridinyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine has a molecular weight of 292.42 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-3-pyridinyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine is sourced from PubChem (CID 116770057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).