N-[[1-(oxetan-3-yloxy)cycloheptyl]methyl]cyclopropanamine

C14H25NO2 — CID 102607763

IUPACN-[[1-(oxetan-3-yloxy)cycloheptyl]methyl]cyclopropanamine
SMILESC1CCCC(CNC2CC2)(OC2COC2)CC1
InChIInChI=1S/C14H25NO2/c1-2-4-8-14(7-3-1,11-15-12-5-6-12)17-13-9-16-10-13/h12-13,15H,1-11H2
InChIKeyRFYPUEYKZPZKAK-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.25
Rot. Bonds5

About N-[[1-(oxetan-3-yloxy)cycloheptyl]methyl]cyclopropanamine

N-[[1-(oxetan-3-yloxy)cycloheptyl]methyl]cyclopropanamine (PubChem CID 102607763) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[[1-(oxetan-3-yloxy)cycloheptyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(oxetan-3-yloxy)cycloheptyl]methyl]cyclopropanamine
PubChem CID102607763
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[[1-(oxetan-3-yloxy)cycloheptyl]methyl]cyclopropanamine
SMILESC1CCCC(CNC2CC2)(OC2COC2)CC1
InChIInChI=1S/C14H25NO2/c1-2-4-8-14(7-3-1,11-15-12-5-6-12)17-13-9-16-10-13/h12-13,15H,1-11H2
InChIKeyRFYPUEYKZPZKAK-UHFFFAOYSA-N
XLogP2.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(oxolan-3-yloxy)cyclohexyl]methyl]cyclopropanamine
CID 63557278
N-[[1-(4-methylcyclohexyl)oxycycloheptyl]methyl]cyclopropanamine
CID 63476043
N-[[1-(2-ethylcyclohexyl)oxycyclohexyl]methyl]cyclopropanamine
CID 63473906
N-[(1-cyclobutyloxy-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
CID 55066097
1-(1-cycloheptyloxycyclohexyl)-N-methylmethanamine
CID 62110565
N-[(1-octoxycyclohexyl)methyl]cyclopropanamine
CID 63476268
N-[[1-(2-cyclopropylethoxy)cycloheptyl]methyl]cyclopropanamine
CID 106204875
N-[[1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62107940
N-[[1-(oxolan-2-ylmethoxy)cycloheptyl]methyl]cyclopropanamine
CID 55036625
N-[(1-butoxycycloheptyl)methyl]cyclopropanamine
CID 62107297
N-[(1-cycloheptyloxycycloheptyl)methyl]propan-2-amine
CID 63473769
N-[(1-propoxycyclopentyl)methyl]cyclopropanamine
CID 62107293

Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxetan-3-yloxy)cycloheptyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(oxetan-3-yloxy)cycloheptyl]methyl]cyclopropanamine (CID 102607763) is N-[[1-(oxetan-3-yloxy)cycloheptyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(oxetan-3-yloxy)cycloheptyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(oxetan-3-yloxy)cycloheptyl]methyl]cyclopropanamine is C1CCCC(CNC2CC2)(OC2COC2)CC1.
What is the InChIKey of N-[[1-(oxetan-3-yloxy)cycloheptyl]methyl]cyclopropanamine?
The InChIKey is RFYPUEYKZPZKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-4-8-14(7-3-1,11-15-12-5-6-12)17-13-9-16-10-13/h12-13,15H,1-11H2.
What are the key properties of N-[[1-(oxetan-3-yloxy)cycloheptyl]methyl]cyclopropanamine?
N-[[1-(oxetan-3-yloxy)cycloheptyl]methyl]cyclopropanamine has a molecular weight of 239.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxetan-3-yloxy)cycloheptyl]methyl]cyclopropanamine is sourced from PubChem (CID 102607763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).