2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanamide

C12H26N4O — CID 55174419

IUPAC2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanamide
SMILESCN1CCC(CN(C)CC(C)(N)C(N)=O)CC1
InChIInChI=1S/C12H26N4O/c1-12(14,11(13)17)9-16(3)8-10-4-6-15(2)7-5-10/h10H,4-9,14H2,1-3H3,(H2,13,17)
InChIKeyGYIJDASRSHQDCJ-UHFFFAOYSA-N
MW242.37 g/mol
LogP-0.54
Rot. Bonds5

About 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanamide

2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanamide (PubChem CID 55174419) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanamide
PubChem CID55174419
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanamide
SMILESCN1CCC(CN(C)CC(C)(N)C(N)=O)CC1
InChIInChI=1S/C12H26N4O/c1-12(14,11(13)17)9-16(3)8-10-4-6-15(2)7-5-10/h10H,4-9,14H2,1-3H3,(H2,13,17)
InChIKeyGYIJDASRSHQDCJ-UHFFFAOYSA-N
XLogP-0.54
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanamide
CID 63236966
ethyl 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoate
CID 63236833
methyl 2-amino-2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 55171631
2-amino-2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanamide
CID 63927660
2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol
CID 63236517
2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-ol
CID 114495626
2-amino-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pentanamide
CID 63234440
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid
CID 63236743
2-amino-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoic acid
CID 55171826
2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanehydrazide
CID 79626351
2-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid
CID 115128042

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanamide?
The IUPAC name of 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanamide (CID 55174419) is 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanamide.
What is the SMILES notation for 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanamide?
The canonical SMILES for 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanamide is CN1CCC(CN(C)CC(C)(N)C(N)=O)CC1.
What is the InChIKey of 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanamide?
The InChIKey is GYIJDASRSHQDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-12(14,11(13)17)9-16(3)8-10-4-6-15(2)7-5-10/h10H,4-9,14H2,1-3H3,(H2,13,17).
What are the key properties of 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanamide?
2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanamide has a molecular weight of 242.37 g/mol, XLogP of -0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanamide is sourced from PubChem (CID 55174419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).