5-[(tert-butylamino)methyl]-N-[(1-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine

C14H26N4O — CID 106961224

IUPAC5-[(tert-butylamino)methyl]-N-[(1-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC1(CNc2nnc(CNC(C)(C)C)o2)CCCC1
InChIInChI=1S/C14H26N4O/c1-13(2,3)16-9-11-17-18-12(19-11)15-10-14(4)7-5-6-8-14/h16H,5-10H2,1-4H3,(H,15,18)
InChIKeyGUZUMCVZGKFIGY-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.95
Rot. Bonds5

About 5-[(tert-butylamino)methyl]-N-[(1-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine

5-[(tert-butylamino)methyl]-N-[(1-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106961224) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-[(1-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-[(1-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106961224
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name5-[(tert-butylamino)methyl]-N-[(1-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC1(CNc2nnc(CNC(C)(C)C)o2)CCCC1
InChIInChI=1S/C14H26N4O/c1-13(2,3)16-9-11-17-18-12(19-11)15-10-14(4)7-5-6-8-14/h16H,5-10H2,1-4H3,(H,15,18)
InChIKeyGUZUMCVZGKFIGY-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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Related Compounds

5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine
CID 106968921
5-[(tert-butylamino)methyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine
CID 106964571
5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967641
5-[(tert-butylamino)methyl]-N-[(2-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106969824
5-[1-(methylamino)ethyl]-N-[(1-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 114095232
5-[(tert-butylamino)methyl]-N-(3-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine
CID 106965461
5-[(tert-butylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106964745
N-[(1-methylcyclopentyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
CID 107914643
5-[(tert-butylamino)methyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967981
5-[(tert-butylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106962282
5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106965416
2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylacetamide
CID 106968829

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-[(1-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-[(1-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine (CID 106961224) is 5-[(tert-butylamino)methyl]-N-[(1-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-[(1-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-[(1-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine is CC1(CNc2nnc(CNC(C)(C)C)o2)CCCC1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-[(1-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is GUZUMCVZGKFIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-13(2,3)16-9-11-17-18-12(19-11)15-10-14(4)7-5-6-8-14/h16H,5-10H2,1-4H3,(H,15,18).
What are the key properties of 5-[(tert-butylamino)methyl]-N-[(1-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N-[(1-methylcyclopentyl)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 5-[(tert-butylamino)methyl]-N-[(1-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106961224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).