5-(methylaminomethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]-1,3,4-oxadiazol-2-amine

C15H20N4O — CID 137335056

IUPAC5-(methylaminomethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(NC2(Cc3cccc(C)c3)CC2)o1
InChIInChI=1S/C15H20N4O/c1-11-4-3-5-12(8-11)9-15(6-7-15)17-14-19-18-13(20-14)10-16-2/h3-5,8,16H,6-7,9-10H2,1-2H3,(H,17,19)
InChIKeyIXQKCMYUNGSPPC-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.28
Rot. Bonds6

About 5-(methylaminomethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]-1,3,4-oxadiazol-2-amine

5-(methylaminomethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]-1,3,4-oxadiazol-2-amine (PubChem CID 137335056) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]-1,3,4-oxadiazol-2-amine
PubChem CID137335056
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-(methylaminomethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(NC2(Cc3cccc(C)c3)CC2)o1
InChIInChI=1S/C15H20N4O/c1-11-4-3-5-12(8-11)9-15(6-7-15)17-14-19-18-13(20-14)10-16-2/h3-5,8,16H,6-7,9-10H2,1-2H3,(H,17,19)
InChIKeyIXQKCMYUNGSPPC-UHFFFAOYSA-N
XLogP2.28
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106969546
N-methyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 82127246
5-(methylaminomethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106970860
N-[(3-methylphenyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969544
2-methyl-N-[[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62388568
N-[2-(3-methylphenyl)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106960288
N-methyl-1-[1-[(3-methylphenyl)methyl]cyclopentyl]methanamine
CID 62724183
5-(methylaminomethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106967245
1-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 23106077
N-methyl-1-[3-[(3-methylphenyl)methyl]oxolan-3-yl]methanamine
CID 62719007
N-methyl-1-[3-[2-(3-methylphenyl)ethyl]phenyl]methanamine
CID 145495304
1-(3-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60975667

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(methylaminomethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]-1,3,4-oxadiazol-2-amine (CID 137335056) is 5-(methylaminomethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(methylaminomethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(methylaminomethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]-1,3,4-oxadiazol-2-amine is CNCc1nnc(NC2(Cc3cccc(C)c3)CC2)o1.
What is the InChIKey of 5-(methylaminomethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is IXQKCMYUNGSPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-4-3-5-12(8-11)9-15(6-7-15)17-14-19-18-13(20-14)10-16-2/h3-5,8,16H,6-7,9-10H2,1-2H3,(H,17,19).
What are the key properties of 5-(methylaminomethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]-1,3,4-oxadiazol-2-amine?
5-(methylaminomethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 272.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 137335056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).