1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-dimethylpiperidin-3-amine

C15H33N3O — CID 103226843

IUPAC1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-dimethylpiperidin-3-amine
SMILESCOCC(CNC(C)(C)C)N1CCCC(N(C)C)C1
InChIInChI=1S/C15H33N3O/c1-15(2,3)16-10-14(12-19-6)18-9-7-8-13(11-18)17(4)5/h13-14,16H,7-12H2,1-6H3
InChIKeyLOLBWMWRHYOEEN-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.42
Rot. Bonds6

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

1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-dimethylpiperidin-3-amine (PubChem CID 103226843) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-dimethylpiperidin-3-amine
PubChem CID103226843
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-dimethylpiperidin-3-amine
SMILESCOCC(CNC(C)(C)C)N1CCCC(N(C)C)C1
InChIInChI=1S/C15H33N3O/c1-15(2,3)16-10-14(12-19-6)18-9-7-8-13(11-18)17(4)5/h13-14,16H,7-12H2,1-6H3
InChIKeyLOLBWMWRHYOEEN-UHFFFAOYSA-N
XLogP1.42
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-diethylpyrrolidin-3-amine
CID 103226503
1-(1-amino-3-methoxypropan-2-yl)-N,N-dimethylpiperidin-3-amine
CID 103226846
N-[3-methoxy-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine
CID 103227214
1-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 103226498
N-[2-(4,4-dimethylpiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103226367
1-hexan-3-yl-N,N-dimethylpiperidin-3-amine
CID 143456781
N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103227144
N-[3-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine
CID 103226813
N-ethyl-3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 106589294
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103226460
1-N-tert-butyl-2-N-(cyclobutylmethyl)-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226340
N-[2-(2,4-dimethylpyrrolidin-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103227315

Frequently Asked Questions

What is the IUPAC name of 1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-dimethylpiperidin-3-amine (CID 103226843) is 1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-dimethylpiperidin-3-amine is COCC(CNC(C)(C)C)N1CCCC(N(C)C)C1.
What is the InChIKey of 1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is LOLBWMWRHYOEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-15(2,3)16-10-14(12-19-6)18-9-7-8-13(11-18)17(4)5/h13-14,16H,7-12H2,1-6H3.
What are the key properties of 1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-dimethylpiperidin-3-amine?
1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 271.45 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 103226843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).