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

C13H24N4O — CID 106391885

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylazepan-4-amine
SMILESCc1nc(CNC2CCCN(C(C)C)CC2)no1
InChIInChI=1S/C13H24N4O/c1-10(2)17-7-4-5-12(6-8-17)14-9-13-15-11(3)18-16-13/h10,12,14H,4-9H2,1-3H3
InChIKeyQMORSJAIIGFHCS-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.73
Rot. Bonds4

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

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylazepan-4-amine (PubChem CID 106391885) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylazepan-4-amine
PubChem CID106391885
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylazepan-4-amine
SMILESCc1nc(CNC2CCCN(C(C)C)CC2)no1
InChIInChI=1S/C13H24N4O/c1-10(2)17-7-4-5-12(6-8-17)14-9-13-15-11(3)18-16-13/h10,12,14H,4-9H2,1-3H3
InChIKeyQMORSJAIIGFHCS-UHFFFAOYSA-N
XLogP1.73
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)azepan-4-amine
CID 65073250
N-[(4-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-amine
CID 65072733
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 107911511
1-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine
CID 65073726
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylazepan-4-amine
CID 65073424
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine
CID 103698868
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutan-1-ol
CID 107911715
2-[[(1-propan-2-ylazepan-4-yl)amino]methyl]phenol
CID 114331588
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 113252158
1-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)azepan-4-amine
CID 65073774
N-(1,2,4-oxadiazol-3-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 106392900
2-[(1-propan-2-ylazepan-4-yl)amino]ethanol
CID 65074438

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylazepan-4-amine?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylazepan-4-amine (CID 106391885) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylazepan-4-amine?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylazepan-4-amine is Cc1nc(CNC2CCCN(C(C)C)CC2)no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylazepan-4-amine?
The InChIKey is QMORSJAIIGFHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)17-7-4-5-12(6-8-17)14-9-13-15-11(3)18-16-13/h10,12,14H,4-9H2,1-3H3.
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylazepan-4-amine?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylazepan-4-amine has a molecular weight of 252.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 106391885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).