N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine

C17H28N2O — CID 114459249

IUPACN-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
SMILESc1nc(CCCNC2CC2)oc1CC1CCCCCC1
InChIInChI=1S/C17H28N2O/c1-2-4-7-14(6-3-1)12-16-13-19-17(20-16)8-5-11-18-15-9-10-15/h13-15,18H,1-12H2
InChIKeyLTCPCFKQOFLMBH-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.87
Rot. Bonds7

About N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine

N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine (PubChem CID 114459249) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
PubChem CID114459249
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
SMILESc1nc(CCCNC2CC2)oc1CC1CCCCCC1
InChIInChI=1S/C17H28N2O/c1-2-4-7-14(6-3-1)12-16-13-19-17(20-16)8-5-11-18-15-9-10-15/h13-15,18H,1-12H2
InChIKeyLTCPCFKQOFLMBH-UHFFFAOYSA-N
XLogP3.87
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine (CID 114459249) is N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine is c1nc(CCCNC2CC2)oc1CC1CCCCCC1.
What is the InChIKey of N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The InChIKey is LTCPCFKQOFLMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-4-7-14(6-3-1)12-16-13-19-17(20-16)8-5-11-18-15-9-10-15/h13-15,18H,1-12H2.
What are the key properties of N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine has a molecular weight of 276.42 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine is sourced from PubChem (CID 114459249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).