2-amino-N-ethyl-3-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]butanamide

C14H29N3O — CID 121226139

IUPAC2-amino-N-ethyl-3-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]butanamide
SMILESCCN(C[C@@H]1CCCCN1C)C(=O)C(N)C(C)C
InChIInChI=1S/C14H29N3O/c1-5-17(14(18)13(15)11(2)3)10-12-8-6-7-9-16(12)4/h11-13H,5-10,15H2,1-4H3/t12-,13?/m0/s1
InChIKeyMTTBAEJTBROXAW-UEWDXFNNSA-N
MW255.41 g/mol
LogP1.30
Rot. Bonds5

About 2-amino-N-ethyl-3-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]butanamide

2-amino-N-ethyl-3-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]butanamide (PubChem CID 121226139) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-amino-N-ethyl-3-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]butanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-3-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]butanamide
PubChem CID121226139
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-amino-N-ethyl-3-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]butanamide
SMILESCCN(C[C@@H]1CCCCN1C)C(=O)C(N)C(C)C
InChIInChI=1S/C14H29N3O/c1-5-17(14(18)13(15)11(2)3)10-12-8-6-7-9-16(12)4/h11-13H,5-10,15H2,1-4H3/t12-,13?/m0/s1
InChIKeyMTTBAEJTBROXAW-UEWDXFNNSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N,3-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]butanamide
CID 96553466
(2S)-2-amino-N,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 66565934
(2S)-2-amino-3-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylbutanamide
CID 66565957
(2S)-2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethyl-3-methylbutanamide
CID 96553087
(2S)-2-amino-N,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide
CID 119894084
(2S)-2-amino-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]propanamide
CID 96553417
2-amino-N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 121226107
2-amino-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropanamide
CID 121226117
(2S)-2-amino-N-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 66565907
benzyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-2-yl]methyl]-N-ethylcarbamate
CID 66566828
(2S)-2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
CID 79314315
(2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one
CID 104689769

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-3-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]butanamide?
The IUPAC name of 2-amino-N-ethyl-3-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]butanamide (CID 121226139) is 2-amino-N-ethyl-3-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]butanamide.
What is the SMILES notation for 2-amino-N-ethyl-3-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]butanamide?
The canonical SMILES for 2-amino-N-ethyl-3-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]butanamide is CCN(C[C@@H]1CCCCN1C)C(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-N-ethyl-3-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]butanamide?
The InChIKey is MTTBAEJTBROXAW-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-17(14(18)13(15)11(2)3)10-12-8-6-7-9-16(12)4/h11-13H,5-10,15H2,1-4H3/t12-,13?/m0/s1.
What are the key properties of 2-amino-N-ethyl-3-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]butanamide?
2-amino-N-ethyl-3-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]butanamide has a molecular weight of 255.41 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-3-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]butanamide is sourced from PubChem (CID 121226139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).