2-[(3R)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]ethanamine

C9H22N4 — CID 129181309

IUPAC2-[(3R)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]ethanamine
SMILESC[C@@H]1CN(CCN)CCN1CCN
InChIInChI=1S/C9H22N4/c1-9-8-12(4-2-10)6-7-13(9)5-3-11/h9H,2-8,10-11H2,1H3/t9-/m1/s1
InChIKeyLZUCUODFMXLSBZ-SECBINFHSA-N
MW186.30 g/mol
LogP-1.09
Rot. Bonds4

About 2-[(3R)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]ethanamine

2-[(3R)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]ethanamine (PubChem CID 129181309) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-[(3R)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[(3R)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]ethanamine
PubChem CID129181309
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC Name2-[(3R)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]ethanamine
SMILESC[C@@H]1CN(CCN)CCN1CCN
InChIInChI=1S/C9H22N4/c1-9-8-12(4-2-10)6-7-13(9)5-3-11/h9H,2-8,10-11H2,1H3/t9-/m1/s1
InChIKeyLZUCUODFMXLSBZ-SECBINFHSA-N
XLogP-1.09
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-Bis(3-aminopropyl)piperazine
CID 81629
2-Methylpiperazine
CID 66057
1,2-Ethanediamine, N1,N1-bis(1-methylethyl)-
CID 8459
2,5-Dimethylpiperazine
CID 7816
1,4-Piperazinediethylamine
CID 81020
1-Isopropylpiperazine
CID 78013
2,5-Dimethylpiperazine, trans-
CID 220672
1-(3-Aminopropyl)-4-methylpiperazine
CID 78328
3-amino-N-ethylpiperidine
CID 98094
2,3,5,6-Tetramethylpiperazine
CID 521970
2,6-Dimethylpiperazine
CID 66056
1-Isopropyl-piperazine hydrochloride
CID 16188447

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]ethanamine?
The IUPAC name of 2-[(3R)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]ethanamine (CID 129181309) is 2-[(3R)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[(3R)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]ethanamine?
The canonical SMILES for 2-[(3R)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]ethanamine is C[C@@H]1CN(CCN)CCN1CCN.
What is the InChIKey of 2-[(3R)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]ethanamine?
The InChIKey is LZUCUODFMXLSBZ-SECBINFHSA-N. The full InChI is InChI=1S/C9H22N4/c1-9-8-12(4-2-10)6-7-13(9)5-3-11/h9H,2-8,10-11H2,1H3/t9-/m1/s1.
What are the key properties of 2-[(3R)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]ethanamine?
2-[(3R)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]ethanamine has a molecular weight of 186.30 g/mol, XLogP of -1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]ethanamine is sourced from PubChem (CID 129181309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).