N-(6-methylheptan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine

C15H30N4O — CID 106959871

IUPACN-(6-methylheptan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)CCCC(C)Nc1nnc(CNCC(C)C)o1
InChIInChI=1S/C15H30N4O/c1-11(2)7-6-8-13(5)17-15-19-18-14(20-15)10-16-9-12(3)4/h11-13,16H,6-10H2,1-5H3,(H,17,19)
InChIKeyQDHDDVLQZIJBEW-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.44
Rot. Bonds10

About N-(6-methylheptan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine

N-(6-methylheptan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106959871) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106959871
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC NameN-(6-methylheptan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)CCCC(C)Nc1nnc(CNCC(C)C)o1
InChIInChI=1S/C15H30N4O/c1-11(2)7-6-8-13(5)17-15-19-18-14(20-15)10-16-9-12(3)4/h11-13,16H,6-10H2,1-5H3,(H,17,19)
InChIKeyQDHDDVLQZIJBEW-UHFFFAOYSA-N
XLogP3.44
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-cyclopentyl-4-piperidinyl)ethyl]-5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 137345845
5-[(2-methylpropylamino)methyl]-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105942438
N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 106962467
5-[(propan-2-ylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine
CID 106963922
5-[(2-methylpropylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine
CID 106963932
5-[(propan-2-ylamino)methyl]-N-(5,5,5-trifluoropentyl)-1,3,4-oxadiazol-2-amine
CID 106963969
5-(propylaminomethyl)-N-(5,5,5-trifluoropentyl)-1,3,4-oxadiazol-2-amine
CID 106963973
5-[1-(propylamino)ethyl]-N-(5,5,5-trifluoropentyl)-1,3,4-oxadiazol-2-amine
CID 106963976
5-[(tert-butylamino)methyl]-N-(5,5,5-trifluoropentyl)-1,3,4-oxadiazol-2-amine
CID 106963978
5-[(2-methylpropylamino)methyl]-N-(5,5,5-trifluoropentyl)-1,3,4-oxadiazol-2-amine
CID 106963979
5-[1-(ethylamino)ethyl]-N-(5,5,5-trifluoropentyl)-1,3,4-oxadiazol-2-amine
CID 106963980
5-(ethylaminomethyl)-N-(5,5,5-trifluoropentyl)-1,3,4-oxadiazol-2-amine
CID 106963981

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(6-methylheptan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106959871) is N-(6-methylheptan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(6-methylheptan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(6-methylheptan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine is CC(C)CCCC(C)Nc1nnc(CNCC(C)C)o1.
What is the InChIKey of N-(6-methylheptan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is QDHDDVLQZIJBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-11(2)7-6-8-13(5)17-15-19-18-14(20-15)10-16-9-12(3)4/h11-13,16H,6-10H2,1-5H3,(H,17,19).
What are the key properties of N-(6-methylheptan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-(6-methylheptan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 282.43 g/mol, XLogP of 3.44, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106959871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).