2-[3-(diethylaminomethyl)piperidin-1-yl]ethanamine

C12H27N3 — CID 14210022

IUPAC2-[3-(diethylaminomethyl)piperidin-1-yl]ethanamine
SMILESCCN(CC)CC1CCCN(CCN)C1
InChIInChI=1S/C12H27N3/c1-3-14(4-2)10-12-6-5-8-15(11-12)9-7-13/h12H,3-11,13H2,1-2H3
InChIKeyCIJXAFLVVBVFNQ-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.00
Rot. Bonds6

About 2-[3-(diethylaminomethyl)piperidin-1-yl]ethanamine

2-[3-(diethylaminomethyl)piperidin-1-yl]ethanamine (PubChem CID 14210022) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-[3-(diethylaminomethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(diethylaminomethyl)piperidin-1-yl]ethanamine
PubChem CID14210022
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-[3-(diethylaminomethyl)piperidin-1-yl]ethanamine
SMILESCCN(CC)CC1CCCN(CCN)C1
InChIInChI=1S/C12H27N3/c1-3-14(4-2)10-12-6-5-8-15(11-12)9-7-13/h12H,3-11,13H2,1-2H3
InChIKeyCIJXAFLVVBVFNQ-UHFFFAOYSA-N
XLogP1.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethanamine
CID 19846080
2-[(3R)-3-ethylpiperidin-1-yl]ethanamine
CID 93187820
N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-ethylacetamide
CID 96554442
N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylcyclopropanamine
CID 66567916
N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylpropan-2-amine
CID 96554802
N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide
CID 96554458
2-[3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 66567008
2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554163
2-[3-(2-bromoethyl)piperidin-1-yl]-N,N-diethylethanamine
CID 107913841
1-(2-aminoethyl)-N,N-diethylazepan-3-amine
CID 14210025
N-[(3S)-1-(2-aminoethyl)piperidin-3-yl]-N-ethylacetamide
CID 66567411
tert-butyl N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 66566102

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylaminomethyl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-[3-(diethylaminomethyl)piperidin-1-yl]ethanamine (CID 14210022) is 2-[3-(diethylaminomethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[3-(diethylaminomethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[3-(diethylaminomethyl)piperidin-1-yl]ethanamine is CCN(CC)CC1CCCN(CCN)C1.
What is the InChIKey of 2-[3-(diethylaminomethyl)piperidin-1-yl]ethanamine?
The InChIKey is CIJXAFLVVBVFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-3-14(4-2)10-12-6-5-8-15(11-12)9-7-13/h12H,3-11,13H2,1-2H3.
What are the key properties of 2-[3-(diethylaminomethyl)piperidin-1-yl]ethanamine?
2-[3-(diethylaminomethyl)piperidin-1-yl]ethanamine has a molecular weight of 213.37 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylaminomethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 14210022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).