[1-(oxolan-3-yloxy)cycloheptyl]methanamine

C12H23NO2 — CID 63558677

IUPAC[1-(oxolan-3-yloxy)cycloheptyl]methanamine
SMILESNCC1(OC2CCOC2)CCCCCC1
InChIInChI=1S/C12H23NO2/c13-10-12(6-3-1-2-4-7-12)15-11-5-8-14-9-11/h11H,1-10,13H2
InChIKeyIACSQIDNPOMPCF-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.84
Rot. Bonds3

About [1-(oxolan-3-yloxy)cycloheptyl]methanamine

[1-(oxolan-3-yloxy)cycloheptyl]methanamine (PubChem CID 63558677) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is [1-(oxolan-3-yloxy)cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(oxolan-3-yloxy)cycloheptyl]methanamine
PubChem CID63558677
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name[1-(oxolan-3-yloxy)cycloheptyl]methanamine
SMILESNCC1(OC2CCOC2)CCCCCC1
InChIInChI=1S/C12H23NO2/c13-10-12(6-3-1-2-4-7-12)15-11-5-8-14-9-11/h11H,1-10,13H2
InChIKeyIACSQIDNPOMPCF-UHFFFAOYSA-N
XLogP1.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(oxolan-3-yloxy)cyclohexyl]methyl]cyclopropanamine
CID 63557278
[1-(oxolan-3-ylmethoxy)cyclohexyl]methanamine
CID 62109560
[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine
CID 55036284
[1-(3,4-dimethylcyclohexyl)oxycyclohexyl]methanamine
CID 64745349
[4-methyl-1-(6-oxaspiro[4.5]decan-9-yloxy)cyclohexyl]methanamine
CID 79904420
[1-(3-methylcyclohexyl)oxycyclopentyl]methanamine
CID 62111227
[1-(oxetan-3-yloxy)-4-propylcyclohexyl]methanamine
CID 115669701
N-methyl-1-[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methanamine
CID 63559290
N-[[1-(oxetan-3-yloxy)cycloheptyl]methyl]cyclopropanamine
CID 102607763
N-[[1-(oxan-4-yloxy)cyclohexyl]methyl]propan-1-amine
CID 62106086
N-[[1-(oxan-4-yloxy)cyclopentyl]methyl]ethanamine
CID 62106808
N-[[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methyl]ethanamine
CID 55214893

Frequently Asked Questions

What is the IUPAC name of [1-(oxolan-3-yloxy)cycloheptyl]methanamine?
The IUPAC name of [1-(oxolan-3-yloxy)cycloheptyl]methanamine (CID 63558677) is [1-(oxolan-3-yloxy)cycloheptyl]methanamine.
What is the SMILES notation for [1-(oxolan-3-yloxy)cycloheptyl]methanamine?
The canonical SMILES for [1-(oxolan-3-yloxy)cycloheptyl]methanamine is NCC1(OC2CCOC2)CCCCCC1.
What is the InChIKey of [1-(oxolan-3-yloxy)cycloheptyl]methanamine?
The InChIKey is IACSQIDNPOMPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c13-10-12(6-3-1-2-4-7-12)15-11-5-8-14-9-11/h11H,1-10,13H2.
What are the key properties of [1-(oxolan-3-yloxy)cycloheptyl]methanamine?
[1-(oxolan-3-yloxy)cycloheptyl]methanamine has a molecular weight of 213.32 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxolan-3-yloxy)cycloheptyl]methanamine is sourced from PubChem (CID 63558677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).