N,1-dimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]piperidin-3-amine

C13H24N4O — CID 62547704

IUPACN,1-dimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]piperidin-3-amine
SMILESCNCc1cc(CN(C)C2CCCN(C)C2)on1
InChIInChI=1S/C13H24N4O/c1-14-8-11-7-13(18-15-11)10-17(3)12-5-4-6-16(2)9-12/h7,12,14H,4-6,8-10H2,1-3H3
InChIKeyDMIZMVJONGTZTG-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.92
Rot. Bonds5

About N,1-dimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]piperidin-3-amine

N,1-dimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]piperidin-3-amine (PubChem CID 62547704) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N,1-dimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]piperidin-3-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]piperidin-3-amine
PubChem CID62547704
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN,1-dimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]piperidin-3-amine
SMILESCNCc1cc(CN(C)C2CCCN(C)C2)on1
InChIInChI=1S/C13H24N4O/c1-14-8-11-7-13(18-15-11)10-17(3)12-5-4-6-16(2)9-12/h7,12,14H,4-6,8-10H2,1-3H3
InChIKeyDMIZMVJONGTZTG-UHFFFAOYSA-N
XLogP0.92
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]-N,1-dimethylpiperidin-3-amine
CID 62547549
5-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-1,2-oxazol-3-amine
CID 117038950
N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclopropanamine
CID 64522082
N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-N-methylcycloheptanamine
CID 62433873
N-methyl-6-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyridazin-3-amine
CID 62547013
N,1-dimethyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-3-amine
CID 62546318
N,3-dimethyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclohexan-1-amine
CID 62429692
N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 63274842
N-benzyl-N,1-dimethylpiperidin-3-amine;ethane
CID 142272680
N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyloxan-4-amine
CID 55073850
N-[(2-amino-5-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79583035
1-[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62438602

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]piperidin-3-amine?
The IUPAC name of N,1-dimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]piperidin-3-amine (CID 62547704) is N,1-dimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]piperidin-3-amine.
What is the SMILES notation for N,1-dimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]piperidin-3-amine?
The canonical SMILES for N,1-dimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]piperidin-3-amine is CNCc1cc(CN(C)C2CCCN(C)C2)on1.
What is the InChIKey of N,1-dimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]piperidin-3-amine?
The InChIKey is DMIZMVJONGTZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-14-8-11-7-13(18-15-11)10-17(3)12-5-4-6-16(2)9-12/h7,12,14H,4-6,8-10H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]piperidin-3-amine?
N,1-dimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]piperidin-3-amine has a molecular weight of 252.36 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]piperidin-3-amine is sourced from PubChem (CID 62547704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).