N-tert-butyl-2-(4,4-diethylpiperidin-1-yl)pentan-1-amine

C18H38N2 — CID 83054955

IUPACN-tert-butyl-2-(4,4-diethylpiperidin-1-yl)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)N1CCC(CC)(CC)CC1
InChIInChI=1S/C18H38N2/c1-7-10-16(15-19-17(4,5)6)20-13-11-18(8-2,9-3)12-14-20/h16,19H,7-15H2,1-6H3
InChIKeyBMXZAOHDEAXURY-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.45
Rot. Bonds7

About N-tert-butyl-2-(4,4-diethylpiperidin-1-yl)pentan-1-amine

N-tert-butyl-2-(4,4-diethylpiperidin-1-yl)pentan-1-amine (PubChem CID 83054955) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is N-tert-butyl-2-(4,4-diethylpiperidin-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(4,4-diethylpiperidin-1-yl)pentan-1-amine
PubChem CID83054955
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC NameN-tert-butyl-2-(4,4-diethylpiperidin-1-yl)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)N1CCC(CC)(CC)CC1
InChIInChI=1S/C18H38N2/c1-7-10-16(15-19-17(4,5)6)20-13-11-18(8-2,9-3)12-14-20/h16,19H,7-15H2,1-6H3
InChIKeyBMXZAOHDEAXURY-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine
CID 83054505
N-tert-butyl-2-(4-tert-butylpiperidin-1-yl)pentan-1-amine
CID 83042494
N-tert-butyl-2-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine
CID 114238325
N-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)pentan-1-amine
CID 83038989
N-tert-butyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pentan-1-amine
CID 83054006
N-tert-butyl-2-(4-ethylazepan-1-yl)pentan-1-amine
CID 83055251
2-(4,4-dimethylpiperidin-1-yl)-N-methylpentan-1-amine
CID 83053930
N-tert-butyl-2-(4-methylpiperazin-1-yl)butan-1-amine
CID 62438126
N-[2-(4,4-dimethylpiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103226367
N-tert-butyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine
CID 83039576
N-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-amine
CID 83042309
N-[2-(4-ethyl-4-methylpiperidin-1-yl)pentyl]cyclopropanamine
CID 83054777

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4,4-diethylpiperidin-1-yl)pentan-1-amine?
The IUPAC name of N-tert-butyl-2-(4,4-diethylpiperidin-1-yl)pentan-1-amine (CID 83054955) is N-tert-butyl-2-(4,4-diethylpiperidin-1-yl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(4,4-diethylpiperidin-1-yl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-(4,4-diethylpiperidin-1-yl)pentan-1-amine is CCCC(CNC(C)(C)C)N1CCC(CC)(CC)CC1.
What is the InChIKey of N-tert-butyl-2-(4,4-diethylpiperidin-1-yl)pentan-1-amine?
The InChIKey is BMXZAOHDEAXURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-7-10-16(15-19-17(4,5)6)20-13-11-18(8-2,9-3)12-14-20/h16,19H,7-15H2,1-6H3.
What are the key properties of N-tert-butyl-2-(4,4-diethylpiperidin-1-yl)pentan-1-amine?
N-tert-butyl-2-(4,4-diethylpiperidin-1-yl)pentan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4,4-diethylpiperidin-1-yl)pentan-1-amine is sourced from PubChem (CID 83054955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).