N-(3,3-dimethylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine

C14H26N4O — CID 106963482

IUPACN-(3,3-dimethylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)NCc1nnc(NC2CCCC(C)(C)C2)o1
InChIInChI=1S/C14H26N4O/c1-10(2)15-9-12-17-18-13(19-12)16-11-6-5-7-14(3,4)8-11/h10-11,15H,5-9H2,1-4H3,(H,16,18)
InChIKeyFBNAKLZBXJYPGQ-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.95
Rot. Bonds5

About N-(3,3-dimethylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine

N-(3,3-dimethylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106963482) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(3,3-dimethylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106963482
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-(3,3-dimethylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)NCc1nnc(NC2CCCC(C)(C)C2)o1
InChIInChI=1S/C14H26N4O/c1-10(2)15-9-12-17-18-13(19-12)16-11-6-5-7-14(3,4)8-11/h10-11,15H,5-9H2,1-4H3,(H,16,18)
InChIKeyFBNAKLZBXJYPGQ-UHFFFAOYSA-N
XLogP2.95
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(3,3-dimethylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106963482) is N-(3,3-dimethylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(3,3-dimethylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(3,3-dimethylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine is CC(C)NCc1nnc(NC2CCCC(C)(C)C2)o1.
What is the InChIKey of N-(3,3-dimethylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is FBNAKLZBXJYPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-10(2)15-9-12-17-18-13(19-12)16-11-6-5-7-14(3,4)8-11/h10-11,15H,5-9H2,1-4H3,(H,16,18).
What are the key properties of N-(3,3-dimethylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-(3,3-dimethylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 266.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106963482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).