N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)cyclohexanamine

C13H20N2O — CID 126549541

IUPACN-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)cyclohexanamine
SMILESc1cc(CN(C2CCCCC2)C2CC2)no1
InChIInChI=1S/C13H20N2O/c1-2-4-12(5-3-1)15(13-6-7-13)10-11-8-9-16-14-11/h8-9,12-13H,1-7,10H2
InChIKeyZSKMACSHCUGXAJ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.97
Rot. Bonds4

About N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)cyclohexanamine

N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)cyclohexanamine (PubChem CID 126549541) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)cyclohexanamine
PubChem CID126549541
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)cyclohexanamine
SMILESc1cc(CN(C2CCCCC2)C2CC2)no1
InChIInChI=1S/C13H20N2O/c1-2-4-12(5-3-1)15(13-6-7-13)10-11-8-9-16-14-11/h8-9,12-13H,1-7,10H2
InChIKeyZSKMACSHCUGXAJ-UHFFFAOYSA-N
XLogP2.97
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)cyclohexanamine?
The IUPAC name of N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)cyclohexanamine (CID 126549541) is N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)cyclohexanamine?
The canonical SMILES for N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)cyclohexanamine is c1cc(CN(C2CCCCC2)C2CC2)no1.
What is the InChIKey of N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)cyclohexanamine?
The InChIKey is ZSKMACSHCUGXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-4-12(5-3-1)15(13-6-7-13)10-11-8-9-16-14-11/h8-9,12-13H,1-7,10H2.
What are the key properties of N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)cyclohexanamine?
N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)cyclohexanamine has a molecular weight of 220.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)cyclohexanamine is sourced from PubChem (CID 126549541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).