2,3-dihydrofuran-5-yl-(1-methoxycycloheptyl)methanamine

C13H23NO2 — CID 102652274

IUPAC2,3-dihydrofuran-5-yl-(1-methoxycycloheptyl)methanamine
SMILESCOC1(C(N)C2=CCCO2)CCCCCC1
InChIInChI=1S/C13H23NO2/c1-15-13(8-4-2-3-5-9-13)12(14)11-7-6-10-16-11/h7,12H,2-6,8-10,14H2,1H3
InChIKeyVHVKFDTYBLMAPQ-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.36
Rot. Bonds3

About 2,3-dihydrofuran-5-yl-(1-methoxycycloheptyl)methanamine

2,3-dihydrofuran-5-yl-(1-methoxycycloheptyl)methanamine (PubChem CID 102652274) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-yl-(1-methoxycycloheptyl)methanamine.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl-(1-methoxycycloheptyl)methanamine
PubChem CID102652274
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2,3-dihydrofuran-5-yl-(1-methoxycycloheptyl)methanamine
SMILESCOC1(C(N)C2=CCCO2)CCCCCC1
InChIInChI=1S/C13H23NO2/c1-15-13(8-4-2-3-5-9-13)12(14)11-7-6-10-16-11/h7,12H,2-6,8-10,14H2,1H3
InChIKeyVHVKFDTYBLMAPQ-UHFFFAOYSA-N
XLogP2.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydrofuran-5-yl-(1-methoxycyclopentyl)methanol
CID 102654861
[3,4-dihydro-2H-pyran-6-yl-(1-methoxycycloheptyl)methyl]hydrazine
CID 102650173
3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanamine
CID 102647873
3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methanamine
CID 102648122
cyclohepten-1-yl-(4-methoxyoxan-4-yl)methanamine
CID 106654606
(3,5-dimethylphenyl)-(1-methoxycycloheptyl)methanamine
CID 116769915
2,3-dihydro-1-benzofuran-5-yl-(1-methoxycyclohexyl)methanamine
CID 116762801
(1-methoxycycloheptyl)-pyrimidin-5-ylmethanamine
CID 116769740
[1-(2,3-dihydrofuran-5-yl)-2-(1-methoxycyclobutyl)ethyl]hydrazine
CID 103560640
3,4-dihydro-2H-pyran-6-yl-[1-(2-methylpropyl)cyclopentyl]methanamine
CID 102649304
[3,4-dihydro-2H-pyran-6-yl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 102650172
1-[amino(2,3-dihydrofuran-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 102651862

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-5-yl-(1-methoxycycloheptyl)methanamine?
The IUPAC name of 2,3-dihydrofuran-5-yl-(1-methoxycycloheptyl)methanamine (CID 102652274) is 2,3-dihydrofuran-5-yl-(1-methoxycycloheptyl)methanamine.
What is the SMILES notation for 2,3-dihydrofuran-5-yl-(1-methoxycycloheptyl)methanamine?
The canonical SMILES for 2,3-dihydrofuran-5-yl-(1-methoxycycloheptyl)methanamine is COC1(C(N)C2=CCCO2)CCCCCC1.
What is the InChIKey of 2,3-dihydrofuran-5-yl-(1-methoxycycloheptyl)methanamine?
The InChIKey is VHVKFDTYBLMAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-15-13(8-4-2-3-5-9-13)12(14)11-7-6-10-16-11/h7,12H,2-6,8-10,14H2,1H3.
What are the key properties of 2,3-dihydrofuran-5-yl-(1-methoxycycloheptyl)methanamine?
2,3-dihydrofuran-5-yl-(1-methoxycycloheptyl)methanamine has a molecular weight of 225.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-5-yl-(1-methoxycycloheptyl)methanamine is sourced from PubChem (CID 102652274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).