(2S)-1-N-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]propane-1,2-diamine

C10H24N4 — CID 3086050

IUPAC(2S)-1-N-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]propane-1,2-diamine
SMILESC[C@H](N)CNCCN1CCN[C@@H](C)C1
InChIInChI=1S/C10H24N4/c1-9(11)7-12-3-5-14-6-4-13-10(2)8-14/h9-10,12-13H,3-8,11H2,1-2H3/t9-,10-/m0/s1
InChIKeyIVNJEQYDZAFUEG-UWVGGRQHSA-N
MW200.33 g/mol
LogP-0.78
Rot. Bonds5

About (2S)-1-N-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]propane-1,2-diamine

(2S)-1-N-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]propane-1,2-diamine (PubChem CID 3086050) has the molecular formula C10H24N4 and a molecular weight of 200.33 g/mol. Its IUPAC name is (2S)-1-N-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]propane-1,2-diamine
PubChem CID3086050
Molecular FormulaC10H24N4
Molecular Weight200.33 g/mol
Exact Mass200.20
IUPAC Name(2S)-1-N-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]propane-1,2-diamine
SMILESC[C@H](N)CNCCN1CCN[C@@H](C)C1
InChIInChI=1S/C10H24N4/c1-9(11)7-12-3-5-14-6-4-13-10(2)8-14/h9-10,12-13H,3-8,11H2,1-2H3/t9-,10-/m0/s1
InChIKeyIVNJEQYDZAFUEG-UWVGGRQHSA-N
XLogP-0.78
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4-Bis(3-aminopropyl)piperazine
CID 81629
2-Methylpiperazine
CID 66057
2,5-Dimethylpiperazine
CID 7816
1-Isopropylpiperazine
CID 78013
1-(2-(Dimethylamino)ethyl)piperazine
CID 2736229
2,5-Dimethylpiperazine, trans-
CID 220672
1,7-DI-(Sec.-butyl)-diethylenetriamine
CID 292506
1-(3-Aminopropyl)-4-methylpiperazine
CID 78328
N,N,N'-Triisopropylethylenediamine
CID 66797
1-(2-Methylpropyl)piperazine
CID 2052052
2,3,5,6-Tetramethylpiperazine
CID 521970
2,6-Dimethylpiperazine
CID 66056

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]propane-1,2-diamine?
The IUPAC name of (2S)-1-N-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]propane-1,2-diamine (CID 3086050) is (2S)-1-N-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]propane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]propane-1,2-diamine?
The canonical SMILES for (2S)-1-N-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]propane-1,2-diamine is C[C@H](N)CNCCN1CCN[C@@H](C)C1.
What is the InChIKey of (2S)-1-N-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]propane-1,2-diamine?
The InChIKey is IVNJEQYDZAFUEG-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H24N4/c1-9(11)7-12-3-5-14-6-4-13-10(2)8-14/h9-10,12-13H,3-8,11H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (2S)-1-N-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]propane-1,2-diamine?
(2S)-1-N-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]propane-1,2-diamine has a molecular weight of 200.33 g/mol, XLogP of -0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]propane-1,2-diamine is sourced from PubChem (CID 3086050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).