4-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2-methylbutanamide

C13H27N3O — CID 80543737

IUPAC4-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2-methylbutanamide
SMILESCCN1CCC(CNC(=O)C(C)CCN)CC1
InChIInChI=1S/C13H27N3O/c1-3-16-8-5-12(6-9-16)10-15-13(17)11(2)4-7-14/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyVPVVKGJSGXVXCP-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.82
Rot. Bonds6

About 4-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2-methylbutanamide

4-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2-methylbutanamide (PubChem CID 80543737) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2-methylbutanamide
PubChem CID80543737
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2-methylbutanamide
SMILESCCN1CCC(CNC(=O)C(C)CCN)CC1
InChIInChI=1S/C13H27N3O/c1-3-16-8-5-12(6-9-16)10-15-13(17)11(2)4-7-14/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyVPVVKGJSGXVXCP-UHFFFAOYSA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide
CID 80543097
(2R)-2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbutanamide
CID 79012313
4-[[(4-amino-2-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 80545198
3-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylpropanamide
CID 62851851
5-amino-2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pentanamide
CID 104684171
2-acetamido-N-[(1-ethylpiperidin-4-yl)methyl]-3-sulfanylpropanamide
CID 107769367
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
(2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide
CID 119861450
5-amino-N-(cyclohexylmethyl)-2-methylpentanamide
CID 104683632
5-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 82014093
(2S)-2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]hexanamide
CID 113304850
2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 106151685

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2-methylbutanamide?
The IUPAC name of 4-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2-methylbutanamide (CID 80543737) is 4-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2-methylbutanamide?
The canonical SMILES for 4-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2-methylbutanamide is CCN1CCC(CNC(=O)C(C)CCN)CC1.
What is the InChIKey of 4-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2-methylbutanamide?
The InChIKey is VPVVKGJSGXVXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-16-8-5-12(6-9-16)10-15-13(17)11(2)4-7-14/h11-12H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of 4-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2-methylbutanamide?
4-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2-methylbutanamide has a molecular weight of 241.38 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2-methylbutanamide is sourced from PubChem (CID 80543737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).