(2R)-1-N-[(Z)-2-[[(2R)-2-aminopropyl]amino]ethenyl]propane-1,2-diamine

C8H20N4 — CID 42627802

IUPAC(2R)-1-N-[(Z)-2-[[(2R)-2-aminopropyl]amino]ethenyl]propane-1,2-diamine
SMILESC[C@@H](N)CN/C=C\NC[C@@H](C)N
InChIInChI=1S/C8H20N4/c1-7(9)5-11-3-4-12-6-8(2)10/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3/b4-3-/t7-,8-/m1/s1
InChIKeyRYRKZVXYDYGSGZ-PYWFFMSPSA-N
MW172.28 g/mol
LogP-0.67
Rot. Bonds6

About (2R)-1-N-[(Z)-2-[[(2R)-2-aminopropyl]amino]ethenyl]propane-1,2-diamine

(2R)-1-N-[(Z)-2-[[(2R)-2-aminopropyl]amino]ethenyl]propane-1,2-diamine (PubChem CID 42627802) has the molecular formula C8H20N4 and a molecular weight of 172.28 g/mol. Its IUPAC name is (2R)-1-N-[(Z)-2-[[(2R)-2-aminopropyl]amino]ethenyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-[(Z)-2-[[(2R)-2-aminopropyl]amino]ethenyl]propane-1,2-diamine
PubChem CID42627802
Molecular FormulaC8H20N4
Molecular Weight172.28 g/mol
Exact Mass172.17
IUPAC Name(2R)-1-N-[(Z)-2-[[(2R)-2-aminopropyl]amino]ethenyl]propane-1,2-diamine
SMILESC[C@@H](N)CN/C=C\NC[C@@H](C)N
InChIInChI=1S/C8H20N4/c1-7(9)5-11-3-4-12-6-8(2)10/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3/b4-3-/t7-,8-/m1/s1
InChIKeyRYRKZVXYDYGSGZ-PYWFFMSPSA-N
XLogP-0.67
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-[(Z)-2-[[(2R)-2-aminopropyl]amino]ethenyl]propane-1,2-diamine?
The IUPAC name of (2R)-1-N-[(Z)-2-[[(2R)-2-aminopropyl]amino]ethenyl]propane-1,2-diamine (CID 42627802) is (2R)-1-N-[(Z)-2-[[(2R)-2-aminopropyl]amino]ethenyl]propane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-[(Z)-2-[[(2R)-2-aminopropyl]amino]ethenyl]propane-1,2-diamine?
The canonical SMILES for (2R)-1-N-[(Z)-2-[[(2R)-2-aminopropyl]amino]ethenyl]propane-1,2-diamine is C[C@@H](N)CN/C=C\NC[C@@H](C)N.
What is the InChIKey of (2R)-1-N-[(Z)-2-[[(2R)-2-aminopropyl]amino]ethenyl]propane-1,2-diamine?
The InChIKey is RYRKZVXYDYGSGZ-PYWFFMSPSA-N. The full InChI is InChI=1S/C8H20N4/c1-7(9)5-11-3-4-12-6-8(2)10/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3/b4-3-/t7-,8-/m1/s1.
What are the key properties of (2R)-1-N-[(Z)-2-[[(2R)-2-aminopropyl]amino]ethenyl]propane-1,2-diamine?
(2R)-1-N-[(Z)-2-[[(2R)-2-aminopropyl]amino]ethenyl]propane-1,2-diamine has a molecular weight of 172.28 g/mol, XLogP of -0.67, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-[(Z)-2-[[(2R)-2-aminopropyl]amino]ethenyl]propane-1,2-diamine is sourced from PubChem (CID 42627802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).