N-tert-butyl-3-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-amine

C17H36N2 — CID 55070199

IUPACN-tert-butyl-3-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-amine
SMILESCC(CNC(C)(C)C)CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2/c1-14(12-18-17(5,6)7)13-19-10-8-15(9-11-19)16(2,3)4/h14-15,18H,8-13H2,1-7H3
InChIKeyXREMGRGJBGYMKO-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.77
Rot. Bonds4

About N-tert-butyl-3-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-amine

N-tert-butyl-3-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-amine (PubChem CID 55070199) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-tert-butyl-3-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-amine
PubChem CID55070199
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-tert-butyl-3-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-amine
SMILESCC(CNC(C)(C)C)CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2/c1-14(12-18-17(5,6)7)13-19-10-8-15(9-11-19)16(2,3)4/h14-15,18H,8-13H2,1-7H3
InChIKeyXREMGRGJBGYMKO-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylpiperidin-1-yl)-N-methylpropan-2-amine
CID 62089869
N-tert-butyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-amine
CID 79184555
N-tert-butyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine
CID 62433993
N-[3-(4-tert-butylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 62091294
1-(4-tert-butylpiperidin-1-yl)pentan-2-ol
CID 62090229
N-tert-butyl-2-(4-tert-butylpiperidin-1-yl)pentan-1-amine
CID 83042494
3-(4-tert-butylpiperidin-1-yl)-2-(methylamino)propanenitrile
CID 62090564
4-tert-butyl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexan-1-amine
CID 61223216
1-(4-tert-butylpiperidin-1-yl)pentan-2-amine
CID 62089164
methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 62091822
1-(tert-butylamino)-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 113317564
4-(4-tert-butylpiperidin-1-yl)-N,3,3-trimethylbutan-2-amine
CID 66452767

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-amine?
The IUPAC name of N-tert-butyl-3-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-amine (CID 55070199) is N-tert-butyl-3-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-amine?
The canonical SMILES for N-tert-butyl-3-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-amine is CC(CNC(C)(C)C)CN1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-3-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-amine?
The InChIKey is XREMGRGJBGYMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-14(12-18-17(5,6)7)13-19-10-8-15(9-11-19)16(2,3)4/h14-15,18H,8-13H2,1-7H3.
What are the key properties of N-tert-butyl-3-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-amine?
N-tert-butyl-3-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 55070199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).