2-(4-tert-butylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine

C17H36N2 — CID 55194853

IUPAC2-(4-tert-butylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCCC(CNCC(C)C)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2/c1-7-16(13-18-12-14(2)3)19-10-8-15(9-11-19)17(4,5)6/h14-16,18H,7-13H2,1-6H3
InChIKeyBXVOUZCHAZWYMR-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.77
Rot. Bonds6

About 2-(4-tert-butylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine

2-(4-tert-butylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 55194853) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
PubChem CID55194853
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCCC(CNCC(C)C)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2/c1-7-16(13-18-12-14(2)3)19-10-8-15(9-11-19)17(4,5)6/h14-16,18H,7-13H2,1-6H3
InChIKeyBXVOUZCHAZWYMR-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

2-(azepan-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62437423
3-(4-tert-butylpiperidin-1-yl)pentanoic acid
CID 63067950
N-[2-(4-tert-butylpiperidin-1-yl)propyl]butan-2-amine
CID 62569931
2-(4-tert-butylpiperidin-1-yl)-3-methoxy-N-propylpropan-1-amine
CID 103225146
2-(4-tert-butylpiperidin-1-yl)-N-ethyl-3-methylbutan-1-amine
CID 62413694
3-(4-tert-butylpiperidin-1-yl)-N-ethyl-2-methylbutan-1-amine
CID 81012728
N-(2-methylpropyl)-2-(1,4-oxazepan-4-yl)butan-1-amine
CID 62972860
N-tert-butyl-2-(4-tert-butylpiperidin-1-yl)pentan-1-amine
CID 83042494
N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 62437857
N-[2-(4-ethoxypiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103225839
N-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425688
2-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 83054308

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine (CID 55194853) is 2-(4-tert-butylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine is CCC(CNCC(C)C)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is BXVOUZCHAZWYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-16(13-18-12-14(2)3)19-10-8-15(9-11-19)17(4,5)6/h14-16,18H,7-13H2,1-6H3.
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine?
2-(4-tert-butylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 55194853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).