N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]-N,1-dimethylpiperidin-3-amine

C16H30N4O — CID 62547549

IUPACN-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)Cc2cc(CNC(C)(C)C)no2)C1
InChIInChI=1S/C16H30N4O/c1-16(2,3)17-10-13-9-15(21-18-13)12-20(5)14-7-6-8-19(4)11-14/h9,14,17H,6-8,10-12H2,1-5H3
InChIKeyNHGULAZSRBWEAY-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.09
Rot. Bonds5

About N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]-N,1-dimethylpiperidin-3-amine

N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]-N,1-dimethylpiperidin-3-amine (PubChem CID 62547549) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]-N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]-N,1-dimethylpiperidin-3-amine
PubChem CID62547549
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)Cc2cc(CNC(C)(C)C)no2)C1
InChIInChI=1S/C16H30N4O/c1-16(2,3)17-10-13-9-15(21-18-13)12-20(5)14-7-6-8-19(4)11-14/h9,14,17H,6-8,10-12H2,1-5H3
InChIKeyNHGULAZSRBWEAY-UHFFFAOYSA-N
XLogP2.09
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,1-dimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]piperidin-3-amine
CID 62547704
5-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-1,2-oxazol-3-amine
CID 117038950
2-methyl-N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 63705981
2-methyl-N-[[5-[(3-methylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62439446
N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-N-methylcycloheptanamine
CID 62433873
N-butyl-N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine
CID 62429311
N-[[5-[(3-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 102968060
N,1-dimethyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-3-amine
CID 62546318
N-[[5-(azepan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62439087
N-[[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 64581399
N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 63274842
N-[[5-[(3-ethoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62413499

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]-N,1-dimethylpiperidin-3-amine?
The IUPAC name of N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]-N,1-dimethylpiperidin-3-amine (CID 62547549) is N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]-N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]-N,1-dimethylpiperidin-3-amine?
The canonical SMILES for N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]-N,1-dimethylpiperidin-3-amine is CN1CCCC(N(C)Cc2cc(CNC(C)(C)C)no2)C1.
What is the InChIKey of N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]-N,1-dimethylpiperidin-3-amine?
The InChIKey is NHGULAZSRBWEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-16(2,3)17-10-13-9-15(21-18-13)12-20(5)14-7-6-8-19(4)11-14/h9,14,17H,6-8,10-12H2,1-5H3.
What are the key properties of N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]-N,1-dimethylpiperidin-3-amine?
N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]-N,1-dimethylpiperidin-3-amine has a molecular weight of 294.44 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]-N,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 62547549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).