N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(1-methylpiperidin-3-yl)ethanamine

C14H31N3O — CID 107094221

IUPACN-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
SMILESCC(NCCOCCN(C)C)C1CCCN(C)C1
InChIInChI=1S/C14H31N3O/c1-13(14-6-5-8-17(4)12-14)15-7-10-18-11-9-16(2)3/h13-15H,5-12H2,1-4H3
InChIKeyODGWPHGQYPEJBT-UHFFFAOYSA-N
MW257.42 g/mol
LogP0.88
Rot. Bonds8

About N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(1-methylpiperidin-3-yl)ethanamine

N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(1-methylpiperidin-3-yl)ethanamine (PubChem CID 107094221) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(1-methylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
PubChem CID107094221
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
SMILESCC(NCCOCCN(C)C)C1CCCN(C)C1
InChIInChI=1S/C14H31N3O/c1-13(14-6-5-8-17(4)12-14)15-7-10-18-11-9-16(2)3/h13-15H,5-12H2,1-4H3
InChIKeyODGWPHGQYPEJBT-UHFFFAOYSA-N
XLogP0.88
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine
CID 61044364
1-(1-methylpiperidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43308264
N,N-dimethyl-2-[1-(1-methylpiperidin-3-yl)ethylamino]ethanesulfonamide
CID 106334875
N'-[1-(1-methylpiperidin-3-yl)ethyl]butane-1,4-diamine
CID 60896171
1-N,1-N,4-trimethyl-2-N-[1-(1-methylpiperidin-3-yl)ethyl]pentane-1,2-diamine
CID 43751567
N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-2-amine
CID 62341832
2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]prop-2-en-1-amine
CID 114615500
N-(dicyclopropylmethyl)-2-[2-(dimethylamino)ethoxy]ethanamine
CID 107094173
tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245567
2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine
CID 64571082
N-[(2,2-dimethylcyclopropyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 103902104
N-[1-(1-methylpiperidin-3-yl)ethyl]hex-5-yn-1-amine
CID 103903615

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(1-methylpiperidin-3-yl)ethanamine?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(1-methylpiperidin-3-yl)ethanamine (CID 107094221) is N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(1-methylpiperidin-3-yl)ethanamine.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(1-methylpiperidin-3-yl)ethanamine?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(1-methylpiperidin-3-yl)ethanamine is CC(NCCOCCN(C)C)C1CCCN(C)C1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(1-methylpiperidin-3-yl)ethanamine?
The InChIKey is ODGWPHGQYPEJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-13(14-6-5-8-17(4)12-14)15-7-10-18-11-9-16(2)3/h13-15H,5-12H2,1-4H3.
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(1-methylpiperidin-3-yl)ethanamine?
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(1-methylpiperidin-3-yl)ethanamine has a molecular weight of 257.42 g/mol, XLogP of 0.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(1-methylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 107094221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).