N-[[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine

C14H22N2O — CID 107186259

IUPACN-[[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESCC1(C)CCCC1c1ocnc1CNC1CC1
InChIInChI=1S/C14H22N2O/c1-14(2)7-3-4-11(14)13-12(16-9-17-13)8-15-10-5-6-10/h9-11,15H,3-8H2,1-2H3
InChIKeyMWQVIASPZPXEDX-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.22
Rot. Bonds4

About N-[[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine

N-[[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (PubChem CID 107186259) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
PubChem CID107186259
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESCC1(C)CCCC1c1ocnc1CNC1CC1
InChIInChI=1S/C14H22N2O/c1-14(2)7-3-4-11(14)13-12(16-9-17-13)8-15-10-5-6-10/h9-11,15H,3-8H2,1-2H3
InChIKeyMWQVIASPZPXEDX-UHFFFAOYSA-N
XLogP3.22
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (CID 107186259) is N-[[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is CC1(C)CCCC1c1ocnc1CNC1CC1.
What is the InChIKey of N-[[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The InChIKey is MWQVIASPZPXEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2)7-3-4-11(14)13-12(16-9-17-13)8-15-10-5-6-10/h9-11,15H,3-8H2,1-2H3.
What are the key properties of N-[[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
N-[[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine has a molecular weight of 234.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107186259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).