(3R,4R)-1-(2-aminoethyl)pyrrolidine-3,4-diamine

C6H16N4 — CID 100983747

IUPAC(3R,4R)-1-(2-aminoethyl)pyrrolidine-3,4-diamine
SMILESNCCN1C[C@@H](N)[C@H](N)C1
InChIInChI=1S/C6H16N4/c7-1-2-10-3-5(8)6(9)4-10/h5-6H,1-4,7-9H2/t5-,6-/m1/s1
InChIKeyUQEQUSVPWBLVNY-PHDIDXHHSA-N
MW144.22 g/mol
LogP-2.08
Rot. Bonds2

About (3R,4R)-1-(2-aminoethyl)pyrrolidine-3,4-diamine

(3R,4R)-1-(2-aminoethyl)pyrrolidine-3,4-diamine (PubChem CID 100983747) has the molecular formula C6H16N4 and a molecular weight of 144.22 g/mol. Its IUPAC name is (3R,4R)-1-(2-aminoethyl)pyrrolidine-3,4-diamine.

Molecular Properties

Compound Name(3R,4R)-1-(2-aminoethyl)pyrrolidine-3,4-diamine
PubChem CID100983747
Molecular FormulaC6H16N4
Molecular Weight144.22 g/mol
Exact Mass144.14
IUPAC Name(3R,4R)-1-(2-aminoethyl)pyrrolidine-3,4-diamine
SMILESNCCN1C[C@@H](N)[C@H](N)C1
InChIInChI=1S/C6H16N4/c7-1-2-10-3-5(8)6(9)4-10/h5-6H,1-4,7-9H2/t5-,6-/m1/s1
InChIKeyUQEQUSVPWBLVNY-PHDIDXHHSA-N
XLogP-2.08
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(2-aminoethyl)pyrrolidine-3,4-diamine?
The IUPAC name of (3R,4R)-1-(2-aminoethyl)pyrrolidine-3,4-diamine (CID 100983747) is (3R,4R)-1-(2-aminoethyl)pyrrolidine-3,4-diamine.
What is the SMILES notation for (3R,4R)-1-(2-aminoethyl)pyrrolidine-3,4-diamine?
The canonical SMILES for (3R,4R)-1-(2-aminoethyl)pyrrolidine-3,4-diamine is NCCN1C[C@@H](N)[C@H](N)C1.
What is the InChIKey of (3R,4R)-1-(2-aminoethyl)pyrrolidine-3,4-diamine?
The InChIKey is UQEQUSVPWBLVNY-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H16N4/c7-1-2-10-3-5(8)6(9)4-10/h5-6H,1-4,7-9H2/t5-,6-/m1/s1.
What are the key properties of (3R,4R)-1-(2-aminoethyl)pyrrolidine-3,4-diamine?
(3R,4R)-1-(2-aminoethyl)pyrrolidine-3,4-diamine has a molecular weight of 144.22 g/mol, XLogP of -2.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(2-aminoethyl)pyrrolidine-3,4-diamine is sourced from PubChem (CID 100983747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).