N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide;ethane

C19H45N3O — CID 144757887

IUPACN-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide;ethane
SMILESCC.CC.CC.CC(=O)NC1CCN(CC(C)(C)CCN)CC1
InChIInChI=1S/C13H27N3O.3C2H6/c1-11(17)15-12-4-8-16(9-5-12)10-13(2,3)6-7-14;3*1-2/h12H,4-10,14H2,1-3H3,(H,15,17);3*1-2H3
InChIKeyXRFUYQFQWOCZTK-UHFFFAOYSA-N
MW331.59 g/mol
LogP4.04
Rot. Bonds5

About N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide;ethane

N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide;ethane (PubChem CID 144757887) has the molecular formula C19H45N3O and a molecular weight of 331.59 g/mol. Its IUPAC name is N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide;ethane.

Molecular Properties

Compound NameN-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide;ethane
PubChem CID144757887
Molecular FormulaC19H45N3O
Molecular Weight331.59 g/mol
Exact Mass331.36
IUPAC NameN-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide;ethane
SMILESCC.CC.CC.CC(=O)NC1CCN(CC(C)(C)CCN)CC1
InChIInChI=1S/C13H27N3O.3C2H6/c1-11(17)15-12-4-8-16(9-5-12)10-13(2,3)6-7-14;3*1-2/h12H,4-10,14H2,1-3H3,(H,15,17);3*1-2H3
InChIKeyXRFUYQFQWOCZTK-UHFFFAOYSA-N
XLogP4.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.59
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide
CID 144757888
N-[1-(6-amino-5,5-dimethylhexyl)piperidin-4-yl]acetamide
CID 106708228
N-[1-(2-aminoethyl)pyrrolidin-3-yl]acetamide
CID 23450282
N-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetamide
CID 58877738
2,2-dimethylpropane;ethane;N-[1-(2-methoxyethyl)piperidin-4-yl]acetamide
CID 143432869
N-[1-(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)pyrrolidin-3-yl]acetamide
CID 113402653
N-[1-(2-iodoethyl)piperidin-4-yl]acetamide
CID 126991191
N-(1-butylpiperidin-4-yl)acetamide
CID 21136025
N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]acetamide
CID 112701787
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
methyl N-[1-(2,2-dimethylpropyl)piperidin-4-yl]carbamate
CID 168761202
N-[1-(2-oxopropyl)pyrrolidin-3-yl]acetamide
CID 58937983

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide;ethane?
The IUPAC name of N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide;ethane (CID 144757887) is N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide;ethane.
What is the SMILES notation for N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide;ethane?
The canonical SMILES for N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide;ethane is CC.CC.CC.CC(=O)NC1CCN(CC(C)(C)CCN)CC1.
What is the InChIKey of N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide;ethane?
The InChIKey is XRFUYQFQWOCZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.3C2H6/c1-11(17)15-12-4-8-16(9-5-12)10-13(2,3)6-7-14;3*1-2/h12H,4-10,14H2,1-3H3,(H,15,17);3*1-2H3.
What are the key properties of N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide;ethane?
N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide;ethane has a molecular weight of 331.59 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide;ethane is sourced from PubChem (CID 144757887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).