N-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine

C13H22N4O — CID 106968561

IUPACN-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESC1CCCC(Nc2nnc(CNC3CC3)o2)CC1
InChIInChI=1S/C13H22N4O/c1-2-4-6-11(5-3-1)15-13-17-16-12(18-13)9-14-10-7-8-10/h10-11,14H,1-9H2,(H,15,17)
InChIKeyZNAMEKQGUDLQRN-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.46
Rot. Bonds5

About N-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine

N-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106968561) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106968561
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESC1CCCC(Nc2nnc(CNC3CC3)o2)CC1
InChIInChI=1S/C13H22N4O/c1-2-4-6-11(5-3-1)15-13-17-16-12(18-13)9-14-10-7-8-10/h10-11,14H,1-9H2,(H,15,17)
InChIKeyZNAMEKQGUDLQRN-UHFFFAOYSA-N
XLogP2.46
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106968561) is N-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine is C1CCCC(Nc2nnc(CNC3CC3)o2)CC1.
What is the InChIKey of N-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is ZNAMEKQGUDLQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-4-6-11(5-3-1)15-13-17-16-12(18-13)9-14-10-7-8-10/h10-11,14H,1-9H2,(H,15,17).
What are the key properties of N-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 250.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106968561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).