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

C14H26N4O — CID 106960156

IUPACN-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCCCN(c1nnc(CNC2CC2)o1)C(C)CC
InChIInChI=1S/C14H26N4O/c1-4-6-9-18(11(3)5-2)14-17-16-13(19-14)10-15-12-7-8-12/h11-12,15H,4-10H2,1-3H3
InChIKeyLRNJVUNMHSYYDY-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.73
Rot. Bonds9

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

N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106960156) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106960156
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCCCN(c1nnc(CNC2CC2)o1)C(C)CC
InChIInChI=1S/C14H26N4O/c1-4-6-9-18(11(3)5-2)14-17-16-13(19-14)10-15-12-7-8-12/h11-12,15H,4-10H2,1-3H3
InChIKeyLRNJVUNMHSYYDY-UHFFFAOYSA-N
XLogP2.73
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106960156) is N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine is CCCCN(c1nnc(CNC2CC2)o1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is LRNJVUNMHSYYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-6-9-18(11(3)5-2)14-17-16-13(19-14)10-15-12-7-8-12/h11-12,15H,4-10H2,1-3H3.
What are the key properties of N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 266.39 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).