N-ethyl-N-(piperazin-2-ylmethyl)ethanamine

C9H21N3 — CID 53437694

IUPACN-ethyl-N-(piperazin-2-ylmethyl)ethanamine
SMILESCCN(CC)CC1CNCCN1
InChIInChI=1S/C9H21N3/c1-3-12(4-2)8-9-7-10-5-6-11-9/h9-11H,3-8H2,1-2H3
InChIKeyHOGXTLQHYIUGBC-UHFFFAOYSA-N
MW171.29 g/mol
LogP-0.11
Rot. Bonds4

About N-ethyl-N-(piperazin-2-ylmethyl)ethanamine

N-ethyl-N-(piperazin-2-ylmethyl)ethanamine (PubChem CID 53437694) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is N-ethyl-N-(piperazin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-(piperazin-2-ylmethyl)ethanamine
PubChem CID53437694
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC NameN-ethyl-N-(piperazin-2-ylmethyl)ethanamine
SMILESCCN(CC)CC1CNCCN1
InChIInChI=1S/C9H21N3/c1-3-12(4-2)8-9-7-10-5-6-11-9/h9-11H,3-8H2,1-2H3
InChIKeyHOGXTLQHYIUGBC-UHFFFAOYSA-N
XLogP-0.11
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268
(2R)-2-butylpiperazine
CID 11182666
N-ethyl-N-[[(3S)-morpholin-3-yl]methyl]ethanamine
CID 66723590
(2R)-2-(2-bromoethyl)piperazine
CID 69174498
ethane;2-(2-methoxyethyl)piperazine;propane
CID 143332825
ethane;2-methylpiperazine;propane
CID 171563379
2-octadecylpiperazine
CID 155671137
2-(methylsulfanylmethyl)piperazine
CID 55253252
piperazin-2-ylmethyl N,N-diethylcarbamate
CID 57170882
[(2S)-1,4,7,10-tetrazacyclododec-2-yl]methanamine
CID 129386497

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperazin-2-ylmethyl)ethanamine?
The IUPAC name of N-ethyl-N-(piperazin-2-ylmethyl)ethanamine (CID 53437694) is N-ethyl-N-(piperazin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-ethyl-N-(piperazin-2-ylmethyl)ethanamine?
The canonical SMILES for N-ethyl-N-(piperazin-2-ylmethyl)ethanamine is CCN(CC)CC1CNCCN1.
What is the InChIKey of N-ethyl-N-(piperazin-2-ylmethyl)ethanamine?
The InChIKey is HOGXTLQHYIUGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-3-12(4-2)8-9-7-10-5-6-11-9/h9-11H,3-8H2,1-2H3.
What are the key properties of N-ethyl-N-(piperazin-2-ylmethyl)ethanamine?
N-ethyl-N-(piperazin-2-ylmethyl)ethanamine has a molecular weight of 171.29 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(piperazin-2-ylmethyl)ethanamine is sourced from PubChem (CID 53437694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).