(3aR,6aS)-5-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-N,2-N,5-N-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine

C17H28N4O — CID 162633683

IUPAC(3aR,6aS)-5-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-N,2-N,5-N-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine
SMILESCN(C)C1C[C@@H]2CC(N(C)c3nnc(C4CCC4)o3)C[C@@H]2C1
InChIInChI=1S/C17H28N4O/c1-20(2)14-7-12-9-15(10-13(12)8-14)21(3)17-19-18-16(22-17)11-5-4-6-11/h11-15H,4-10H2,1-3H3/t12-,13+,14?,15?
InChIKeyGSCHSYNGZTWKJH-DGKWVBSXSA-N
MW304.44 g/mol
LogP2.89
Rot. Bonds4

About (3aR,6aS)-5-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-N,2-N,5-N-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine

(3aR,6aS)-5-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-N,2-N,5-N-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine (PubChem CID 162633683) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is (3aR,6aS)-5-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-N,2-N,5-N-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine.

Molecular Properties

Compound Name(3aR,6aS)-5-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-N,2-N,5-N-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine
PubChem CID162633683
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name(3aR,6aS)-5-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-N,2-N,5-N-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine
SMILESCN(C)C1C[C@@H]2CC(N(C)c3nnc(C4CCC4)o3)C[C@@H]2C1
InChIInChI=1S/C17H28N4O/c1-20(2)14-7-12-9-15(10-13(12)8-14)21(3)17-19-18-16(22-17)11-5-4-6-11/h11-15H,4-10H2,1-3H3/t12-,13+,14?,15?
InChIKeyGSCHSYNGZTWKJH-DGKWVBSXSA-N
XLogP2.89
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aR,6aS)-5-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-N,2-N,5-N-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine with MolForge

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Related Compounds

2-cyclobutyl-5-(2-methylcyclopropyl)-1,3,4-oxadiazole
CID 130621431
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethylcyclopentanamine
CID 71937266
4-[[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 72854217
1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62072169
3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]cyclobutan-1-one
CID 121207755
3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138936
N-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 62588537
2-cyclobutyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole
CID 84687002
trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine
CID 101240385
N-methyl-N-(3-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970227
2-cyclohexyl-5-methyl-1,3,4-oxadiazole;methanamine
CID 143346929
2-(chloromethyl)-5-cyclopentyl-1,3,4-oxadiazole
CID 30060551

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-N,2-N,5-N-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine?
The IUPAC name of (3aR,6aS)-5-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-N,2-N,5-N-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine (CID 162633683) is (3aR,6aS)-5-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-N,2-N,5-N-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine.
What is the SMILES notation for (3aR,6aS)-5-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-N,2-N,5-N-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine?
The canonical SMILES for (3aR,6aS)-5-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-N,2-N,5-N-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine is CN(C)C1C[C@@H]2CC(N(C)c3nnc(C4CCC4)o3)C[C@@H]2C1.
What is the InChIKey of (3aR,6aS)-5-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-N,2-N,5-N-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine?
The InChIKey is GSCHSYNGZTWKJH-DGKWVBSXSA-N. The full InChI is InChI=1S/C17H28N4O/c1-20(2)14-7-12-9-15(10-13(12)8-14)21(3)17-19-18-16(22-17)11-5-4-6-11/h11-15H,4-10H2,1-3H3/t12-,13+,14?,15?.
What are the key properties of (3aR,6aS)-5-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-N,2-N,5-N-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine?
(3aR,6aS)-5-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-N,2-N,5-N-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine has a molecular weight of 304.44 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2-N,2-N,5-N-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine is sourced from PubChem (CID 162633683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).