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

C10H22N4O — CID 103244493

IUPAC2-amino-3-[(1-methylpiperidin-2-yl)methylamino]propanamide
SMILESCN1CCCCC1CNCC(N)C(N)=O
InChIInChI=1S/C10H22N4O/c1-14-5-3-2-4-8(14)6-13-7-9(11)10(12)15/h8-9,13H,2-7,11H2,1H3,(H2,12,15)
InChIKeyNJSBXWBNZFGLHO-UHFFFAOYSA-N
MW214.31 g/mol
LogP-1.13
Rot. Bonds5

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

2-amino-3-[(1-methylpiperidin-2-yl)methylamino]propanamide (PubChem CID 103244493) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-amino-3-[(1-methylpiperidin-2-yl)methylamino]propanamide.

Molecular Properties

Compound Name2-amino-3-[(1-methylpiperidin-2-yl)methylamino]propanamide
PubChem CID103244493
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name2-amino-3-[(1-methylpiperidin-2-yl)methylamino]propanamide
SMILESCN1CCCCC1CNCC(N)C(N)=O
InChIInChI=1S/C10H22N4O/c1-14-5-3-2-4-8(14)6-13-7-9(11)10(12)15/h8-9,13H,2-7,11H2,1H3,(H2,12,15)
InChIKeyNJSBXWBNZFGLHO-UHFFFAOYSA-N
XLogP-1.13
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[(1-methylpyrrolidin-2-yl)methylamino]propanoic acid
CID 106020229
2-[(1-methylpiperidin-2-yl)methylamino]ethylurea
CID 83111623
3-[(1-methylpiperidin-2-yl)methylamino]propane-1,2-diol
CID 66176775
(2S)-2-amino-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 79023299
2,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
CID 64570270
methyl 2-amino-3-(1-methylpiperidin-2-yl)propanoate
CID 83982223
N-(2-aminopropyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110834402
2-amino-3-(1-methylpiperidin-2-yl)propanoic acid
CID 83668031
2-amino-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanamide
CID 103255271
1-[(1-methylpyrrolidin-2-yl)methylamino]butan-2-ol
CID 106025279
1-[2-[(1-methylpiperidin-2-yl)methylamino]acetyl]piperidine-4-carboxylic acid
CID 103244498
[(2S)-1-methylpiperidin-2-yl]methylhydrazine
CID 45087985

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(1-methylpiperidin-2-yl)methylamino]propanamide?
The IUPAC name of 2-amino-3-[(1-methylpiperidin-2-yl)methylamino]propanamide (CID 103244493) is 2-amino-3-[(1-methylpiperidin-2-yl)methylamino]propanamide.
What is the SMILES notation for 2-amino-3-[(1-methylpiperidin-2-yl)methylamino]propanamide?
The canonical SMILES for 2-amino-3-[(1-methylpiperidin-2-yl)methylamino]propanamide is CN1CCCCC1CNCC(N)C(N)=O.
What is the InChIKey of 2-amino-3-[(1-methylpiperidin-2-yl)methylamino]propanamide?
The InChIKey is NJSBXWBNZFGLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-14-5-3-2-4-8(14)6-13-7-9(11)10(12)15/h8-9,13H,2-7,11H2,1H3,(H2,12,15).
What are the key properties of 2-amino-3-[(1-methylpiperidin-2-yl)methylamino]propanamide?
2-amino-3-[(1-methylpiperidin-2-yl)methylamino]propanamide has a molecular weight of 214.31 g/mol, XLogP of -1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(1-methylpiperidin-2-yl)methylamino]propanamide is sourced from PubChem (CID 103244493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).