1-[2-(dimethylamino)ethyl]-N,2,2-trimethylpiperidin-3-amine

C12H27N3 — CID 117019273

IUPAC1-[2-(dimethylamino)ethyl]-N,2,2-trimethylpiperidin-3-amine
SMILESCNC1CCCN(CCN(C)C)C1(C)C
InChIInChI=1S/C12H27N3/c1-12(2)11(13-3)7-6-8-15(12)10-9-14(4)5/h11,13H,6-10H2,1-5H3
InChIKeyNXLSYOUBPWDSEM-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.01
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-N,2,2-trimethylpiperidin-3-amine

1-[2-(dimethylamino)ethyl]-N,2,2-trimethylpiperidin-3-amine (PubChem CID 117019273) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N,2,2-trimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-N,2,2-trimethylpiperidin-3-amine
PubChem CID117019273
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name1-[2-(dimethylamino)ethyl]-N,2,2-trimethylpiperidin-3-amine
SMILESCNC1CCCN(CCN(C)C)C1(C)C
InChIInChI=1S/C12H27N3/c1-12(2)11(13-3)7-6-8-15(12)10-9-14(4)5/h11,13H,6-10H2,1-5H3
InChIKeyNXLSYOUBPWDSEM-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethyl)-N,2,2-trimethylpiperidin-3-amine
CID 117019270
1-cyclopentyl-N,2,2-trimethylpiperidin-3-amine
CID 117019268
1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidin-4-amine
CID 117020090
1-[2-(dimethylamino)ethyl]pyrrolidine-2-carbaldehyde
CID 102567892
[(2R)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]methanol
CID 66262417
methyl 1-[3-(dimethylamino)propyl]-2,2-dimethylpyrrolidine-3-carboxylate
CID 117022946
cis-(1S,2S)-1-methyl-2-(methylamino)cyclohexan-1-ol
CID 138485251
3-[3-(2-aminoethyl)-2,2-dimethylpyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
CID 117017545
2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-methylcyclohexan-1-amine
CID 62888860
N-methyl-1-(1,2,2-trimethylpiperidin-3-yl)methanamine
CID 117019831
1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidine-4-carboxylic acid
CID 117020325
1-methyl-2-(methylamino)cyclohexan-1-ol;dihydrochloride
CID 69200571

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N,2,2-trimethylpiperidin-3-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-N,2,2-trimethylpiperidin-3-amine (CID 117019273) is 1-[2-(dimethylamino)ethyl]-N,2,2-trimethylpiperidin-3-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N,2,2-trimethylpiperidin-3-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N,2,2-trimethylpiperidin-3-amine is CNC1CCCN(CCN(C)C)C1(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N,2,2-trimethylpiperidin-3-amine?
The InChIKey is NXLSYOUBPWDSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-12(2)11(13-3)7-6-8-15(12)10-9-14(4)5/h11,13H,6-10H2,1-5H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-N,2,2-trimethylpiperidin-3-amine?
1-[2-(dimethylamino)ethyl]-N,2,2-trimethylpiperidin-3-amine has a molecular weight of 213.37 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-N,2,2-trimethylpiperidin-3-amine is sourced from PubChem (CID 117019273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).