N-propan-2-yl-1-(2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine

C12H20N2O — CID 58430969

IUPACN-propan-2-yl-1-(2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine
SMILESCC(C)NC1(c2coc(C(C)C)n2)CC1
InChIInChI=1S/C12H20N2O/c1-8(2)11-13-10(7-15-11)12(5-6-12)14-9(3)4/h7-9,14H,5-6H2,1-4H3
InChIKeyMXRKLZUADLQQED-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.79
Rot. Bonds4

About N-propan-2-yl-1-(2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine

N-propan-2-yl-1-(2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine (PubChem CID 58430969) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-propan-2-yl-1-(2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-1-(2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine
PubChem CID58430969
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-propan-2-yl-1-(2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine
SMILESCC(C)NC1(c2coc(C(C)C)n2)CC1
InChIInChI=1S/C12H20N2O/c1-8(2)11-13-10(7-15-11)12(5-6-12)14-9(3)4/h7-9,14H,5-6H2,1-4H3
InChIKeyMXRKLZUADLQQED-UHFFFAOYSA-N
XLogP2.79
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-(2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine?
The IUPAC name of N-propan-2-yl-1-(2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine (CID 58430969) is N-propan-2-yl-1-(2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine.
What is the SMILES notation for N-propan-2-yl-1-(2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine?
The canonical SMILES for N-propan-2-yl-1-(2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine is CC(C)NC1(c2coc(C(C)C)n2)CC1.
What is the InChIKey of N-propan-2-yl-1-(2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine?
The InChIKey is MXRKLZUADLQQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8(2)11-13-10(7-15-11)12(5-6-12)14-9(3)4/h7-9,14H,5-6H2,1-4H3.
What are the key properties of N-propan-2-yl-1-(2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine?
N-propan-2-yl-1-(2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine has a molecular weight of 208.30 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-(2-propan-2-yl-1,3-oxazol-4-yl)cyclopropan-1-amine is sourced from PubChem (CID 58430969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).