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

C10H24N4 — CID 3086047

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

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

(2S)-2-N-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]propane-1,2-diamine (PubChem CID 3086047) has the molecular formula C10H24N4 and a molecular weight of 200.33 g/mol. Its IUPAC name is (2S)-2-N-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]propane-1,2-diamine
PubChem CID3086047
Molecular FormulaC10H24N4
Molecular Weight200.33 g/mol
Exact Mass200.20
IUPAC Name(2S)-2-N-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]propane-1,2-diamine
SMILESC[C@@H]1CNCCN1CCN[C@@H](C)CN
InChIInChI=1S/C10H24N4/c1-9(7-11)13-4-6-14-5-3-12-8-10(14)2/h9-10,12-13H,3-8,11H2,1-2H3/t9-,10+/m0/s1
InChIKeyDTWVHOVBCJHNMH-VHSXEESVSA-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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]propane-1,2-diamine?
The IUPAC name of (2S)-2-N-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]propane-1,2-diamine (CID 3086047) is (2S)-2-N-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]propane-1,2-diamine.
What is the SMILES notation for (2S)-2-N-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]propane-1,2-diamine?
The canonical SMILES for (2S)-2-N-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]propane-1,2-diamine is C[C@@H]1CNCCN1CCN[C@@H](C)CN.
What is the InChIKey of (2S)-2-N-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]propane-1,2-diamine?
The InChIKey is DTWVHOVBCJHNMH-VHSXEESVSA-N. The full InChI is InChI=1S/C10H24N4/c1-9(7-11)13-4-6-14-5-3-12-8-10(14)2/h9-10,12-13H,3-8,11H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of (2S)-2-N-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]propane-1,2-diamine?
(2S)-2-N-[2-[(2R)-2-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)-2-N-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]propane-1,2-diamine is sourced from PubChem (CID 3086047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).