(1-ethoxycycloheptyl)-(5-methoxy-3-pyridinyl)methanamine

C16H26N2O2 — CID 116770623

IUPAC(1-ethoxycycloheptyl)-(5-methoxy-3-pyridinyl)methanamine
SMILESCCOC1(C(N)c2cncc(OC)c2)CCCCCC1
InChIInChI=1S/C16H26N2O2/c1-3-20-16(8-6-4-5-7-9-16)15(17)13-10-14(19-2)12-18-11-13/h10-12,15H,3-9,17H2,1-2H3
InChIKeyPUBZAOSWYBELCL-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.22
Rot. Bonds5

About (1-ethoxycycloheptyl)-(5-methoxy-3-pyridinyl)methanamine

(1-ethoxycycloheptyl)-(5-methoxy-3-pyridinyl)methanamine (PubChem CID 116770623) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (1-ethoxycycloheptyl)-(5-methoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(1-ethoxycycloheptyl)-(5-methoxy-3-pyridinyl)methanamine
PubChem CID116770623
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(1-ethoxycycloheptyl)-(5-methoxy-3-pyridinyl)methanamine
SMILESCCOC1(C(N)c2cncc(OC)c2)CCCCCC1
InChIInChI=1S/C16H26N2O2/c1-3-20-16(8-6-4-5-7-9-16)15(17)13-10-14(19-2)12-18-11-13/h10-12,15H,3-9,17H2,1-2H3
InChIKeyPUBZAOSWYBELCL-UHFFFAOYSA-N
XLogP3.22
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine
CID 116763600
(5-methoxy-3-pyridinyl)-(1-methylcyclohexyl)methanamine
CID 106830483
(1-methoxy-4,4-dimethylcyclohexyl)-(5-methoxy-3-pyridinyl)methanamine
CID 116769046
(1-ethoxycyclopentyl)-pyridin-3-ylmethanamine
CID 116761702
(1-ethoxycyclopentyl)-(4-propan-2-ylphenyl)methanamine
CID 116761580
(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methanol
CID 116753621
(3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine
CID 104610743
[(1-ethoxycycloheptyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105278498
1-(3,5-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 116761840
(1-ethoxycyclopentyl)-(4-propan-2-yloxyphenyl)methanamine
CID 116761739
1-(5-ethoxy-3-pyridinyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
CID 116770057
(1-methoxycycloheptyl)-pyrimidin-5-ylmethanamine
CID 116769740

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycycloheptyl)-(5-methoxy-3-pyridinyl)methanamine?
The IUPAC name of (1-ethoxycycloheptyl)-(5-methoxy-3-pyridinyl)methanamine (CID 116770623) is (1-ethoxycycloheptyl)-(5-methoxy-3-pyridinyl)methanamine.
What is the SMILES notation for (1-ethoxycycloheptyl)-(5-methoxy-3-pyridinyl)methanamine?
The canonical SMILES for (1-ethoxycycloheptyl)-(5-methoxy-3-pyridinyl)methanamine is CCOC1(C(N)c2cncc(OC)c2)CCCCCC1.
What is the InChIKey of (1-ethoxycycloheptyl)-(5-methoxy-3-pyridinyl)methanamine?
The InChIKey is PUBZAOSWYBELCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-20-16(8-6-4-5-7-9-16)15(17)13-10-14(19-2)12-18-11-13/h10-12,15H,3-9,17H2,1-2H3.
What are the key properties of (1-ethoxycycloheptyl)-(5-methoxy-3-pyridinyl)methanamine?
(1-ethoxycycloheptyl)-(5-methoxy-3-pyridinyl)methanamine has a molecular weight of 278.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycycloheptyl)-(5-methoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 116770623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).