3-[3-(aminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide

C11H23N3O — CID 60962395

IUPAC3-[3-(aminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1CCCC(CN)C1
InChIInChI=1S/C11H23N3O/c1-13(2)11(15)5-7-14-6-3-4-10(8-12)9-14/h10H,3-9,12H2,1-2H3
InChIKeyDZXSASTWFAXLLL-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.14
Rot. Bonds4

About 3-[3-(aminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide

3-[3-(aminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide (PubChem CID 60962395) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[3-(aminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-(aminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide
PubChem CID60962395
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-[3-(aminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1CCCC(CN)C1
InChIInChI=1S/C11H23N3O/c1-13(2)11(15)5-7-14-6-3-4-10(8-12)9-14/h10H,3-9,12H2,1-2H3
InChIKeyDZXSASTWFAXLLL-UHFFFAOYSA-N
XLogP0.14
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
CID 63849354
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 62371563
3-(3-formylpiperidin-1-yl)-N,N-dimethylpropanamide
CID 62654927
3-[(3R)-3-hydroxypyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 78963432
2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 61488497
2-[3-(aminomethyl)piperidin-1-yl]ethanethiol
CID 84655015
2-[3-(aminomethyl)piperidin-1-yl]ethanesulfonamide
CID 114385443
[(3R)-1-ethylpiperidin-3-yl]methanamine
CID 7200431
4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylbutanamide
CID 63847458
[1-(4-methoxybutyl)piperidin-3-yl]methanamine
CID 112702061
1-[(3R)-3-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one
CID 129494683
N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide
CID 96554458

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[3-(aminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide (CID 60962395) is 3-[3-(aminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[3-(aminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[3-(aminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide is CN(C)C(=O)CCN1CCCC(CN)C1.
What is the InChIKey of 3-[3-(aminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide?
The InChIKey is DZXSASTWFAXLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-13(2)11(15)5-7-14-6-3-4-10(8-12)9-14/h10H,3-9,12H2,1-2H3.
What are the key properties of 3-[3-(aminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide?
3-[3-(aminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide has a molecular weight of 213.32 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 60962395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).