N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine

C16H26N2O2 — CID 116714615

IUPACN-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(OC(C)C)c1)C1(OC)CCC1
InChIInChI=1S/C16H26N2O2/c1-5-18-15(16(19-4)7-6-8-16)13-9-14(11-17-10-13)20-12(2)3/h9-12,15,18H,5-8H2,1-4H3
InChIKeyAMTAOKGSWDGFHI-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.09
Rot. Bonds7

About N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine

N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine (PubChem CID 116714615) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
PubChem CID116714615
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(OC(C)C)c1)C1(OC)CCC1
InChIInChI=1S/C16H26N2O2/c1-5-18-15(16(19-4)7-6-8-16)13-9-14(11-17-10-13)20-12(2)3/h9-12,15,18H,5-8H2,1-4H3
InChIKeyAMTAOKGSWDGFHI-UHFFFAOYSA-N
XLogP3.09
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine with MolForge

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Related Compounds

N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 116714896
N-[(1-methoxycyclobutyl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 116714647
N-[(1-methoxycyclopentyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 113432853
N-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 116763272
1-(5-ethoxy-3-pyridinyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
CID 116770057
N-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 116764137
[(1-methylcyclopentyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330488
N-[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]ethanamine
CID 116770319
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine
CID 105176094
(1-methoxy-3-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 116755046
N-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714564
N-[(4-ethylphenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714561

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine (CID 116714615) is N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine is CCNC(c1cncc(OC(C)C)c1)C1(OC)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is AMTAOKGSWDGFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-18-15(16(19-4)7-6-8-16)13-9-14(11-17-10-13)20-12(2)3/h9-12,15,18H,5-8H2,1-4H3.
What are the key properties of N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine?
N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 278.40 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 116714615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).