(2R)-1-N-[2-[[(2S)-2-aminopropyl]amino]ethyl]propane-1,2-diamine

C8H22N4 — CID 3084955

IUPAC(2R)-1-N-[2-[[(2S)-2-aminopropyl]amino]ethyl]propane-1,2-diamine
SMILESC[C@H](N)CNCCNC[C@@H](C)N
InChIInChI=1S/C8H22N4/c1-7(9)5-11-3-4-12-6-8(2)10/h7-8,11-12H,3-6,9-10H2,1-2H3/t7-,8+
InChIKeyNZNLWMMWMCQCIE-OCAPTIKFSA-N
MW174.29 g/mol
LogP-1.14
Rot. Bonds7

About (2R)-1-N-[2-[[(2S)-2-aminopropyl]amino]ethyl]propane-1,2-diamine

(2R)-1-N-[2-[[(2S)-2-aminopropyl]amino]ethyl]propane-1,2-diamine (PubChem CID 3084955) has the molecular formula C8H22N4 and a molecular weight of 174.29 g/mol. Its IUPAC name is (2R)-1-N-[2-[[(2S)-2-aminopropyl]amino]ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-[2-[[(2S)-2-aminopropyl]amino]ethyl]propane-1,2-diamine
PubChem CID3084955
Molecular FormulaC8H22N4
Molecular Weight174.29 g/mol
Exact Mass174.18
IUPAC Name(2R)-1-N-[2-[[(2S)-2-aminopropyl]amino]ethyl]propane-1,2-diamine
SMILESC[C@H](N)CNCCNC[C@@H](C)N
InChIInChI=1S/C8H22N4/c1-7(9)5-11-3-4-12-6-8(2)10/h7-8,11-12H,3-6,9-10H2,1-2H3/t7-,8+
InChIKeyNZNLWMMWMCQCIE-OCAPTIKFSA-N
XLogP-1.14
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-[2-[[(2S)-2-aminopropyl]amino]ethyl]propane-1,2-diamine?
The IUPAC name of (2R)-1-N-[2-[[(2S)-2-aminopropyl]amino]ethyl]propane-1,2-diamine (CID 3084955) is (2R)-1-N-[2-[[(2S)-2-aminopropyl]amino]ethyl]propane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-[2-[[(2S)-2-aminopropyl]amino]ethyl]propane-1,2-diamine?
The canonical SMILES for (2R)-1-N-[2-[[(2S)-2-aminopropyl]amino]ethyl]propane-1,2-diamine is C[C@H](N)CNCCNC[C@@H](C)N.
What is the InChIKey of (2R)-1-N-[2-[[(2S)-2-aminopropyl]amino]ethyl]propane-1,2-diamine?
The InChIKey is NZNLWMMWMCQCIE-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H22N4/c1-7(9)5-11-3-4-12-6-8(2)10/h7-8,11-12H,3-6,9-10H2,1-2H3/t7-,8+.
What are the key properties of (2R)-1-N-[2-[[(2S)-2-aminopropyl]amino]ethyl]propane-1,2-diamine?
(2R)-1-N-[2-[[(2S)-2-aminopropyl]amino]ethyl]propane-1,2-diamine has a molecular weight of 174.29 g/mol, XLogP of -1.14, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-[2-[[(2S)-2-aminopropyl]amino]ethyl]propane-1,2-diamine is sourced from PubChem (CID 3084955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).