5-(aminomethyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine

C13H25N5O — CID 137340686

IUPAC5-(aminomethyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)CN1CCC(CNc2nnc(CN)o2)CC1
InChIInChI=1S/C13H25N5O/c1-10(2)9-18-5-3-11(4-6-18)8-15-13-17-16-12(7-14)19-13/h10-11H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyJVCNTPHLQDMNOT-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.31
Rot. Bonds6

About 5-(aminomethyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine

5-(aminomethyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 137340686) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine
PubChem CID137340686
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name5-(aminomethyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)CN1CCC(CNc2nnc(CN)o2)CC1
InChIInChI=1S/C13H25N5O/c1-10(2)9-18-5-3-11(4-6-18)8-15-13-17-16-12(7-14)19-13/h10-11H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyJVCNTPHLQDMNOT-UHFFFAOYSA-N
XLogP1.31
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106964738
5-(2-aminoethyl)-N-[(4-ethylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106959682
5-[(2-methylpropylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106964746
N-(cyclobutylmethyl)-5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-amine
CID 166241934
N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]propan-1-amine
CID 62593266
5-(aminomethyl)-N-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106969861
5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine
CID 106968921
2,2,2-trifluoro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanamine
CID 83983142
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106964958
N-(cyclobutylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115713249
5-[(2-methylpropylamino)methyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106971002
5-[(tert-butylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106964745

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine (CID 137340686) is 5-(aminomethyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine is CC(C)CN1CCC(CNc2nnc(CN)o2)CC1.
What is the InChIKey of 5-(aminomethyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is JVCNTPHLQDMNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-10(2)9-18-5-3-11(4-6-18)8-15-13-17-16-12(7-14)19-13/h10-11H,3-9,14H2,1-2H3,(H,15,17).
What are the key properties of 5-(aminomethyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 267.38 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 137340686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).