N'-[[(2R,4S)-4-(3-aminopropylamino)pyrrolidin-2-yl]methyl]propane-1,3-diamine

C11H27N5 — CID 10847025

IUPACN'-[[(2R,4S)-4-(3-aminopropylamino)pyrrolidin-2-yl]methyl]propane-1,3-diamine
SMILESNCCCNC[C@H]1C[C@H](NCCCN)CN1
InChIInChI=1S/C11H27N5/c12-3-1-5-14-8-10-7-11(9-16-10)15-6-2-4-13/h10-11,14-16H,1-9,12-13H2/t10-,11+/m1/s1
InChIKeyUOTKFYUYKWQBMT-MNOVXSKESA-N
MW229.37 g/mol
LogP-1.41
Rot. Bonds9

About N'-[[(2R,4S)-4-(3-aminopropylamino)pyrrolidin-2-yl]methyl]propane-1,3-diamine

N'-[[(2R,4S)-4-(3-aminopropylamino)pyrrolidin-2-yl]methyl]propane-1,3-diamine (PubChem CID 10847025) has the molecular formula C11H27N5 and a molecular weight of 229.37 g/mol. Its IUPAC name is N'-[[(2R,4S)-4-(3-aminopropylamino)pyrrolidin-2-yl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[[(2R,4S)-4-(3-aminopropylamino)pyrrolidin-2-yl]methyl]propane-1,3-diamine
PubChem CID10847025
Molecular FormulaC11H27N5
Molecular Weight229.37 g/mol
Exact Mass229.23
IUPAC NameN'-[[(2R,4S)-4-(3-aminopropylamino)pyrrolidin-2-yl]methyl]propane-1,3-diamine
SMILESNCCCNC[C@H]1C[C@H](NCCCN)CN1
InChIInChI=1S/C11H27N5/c12-3-1-5-14-8-10-7-11(9-16-10)15-6-2-4-13/h10-11,14-16H,1-9,12-13H2/t10-,11+/m1/s1
InChIKeyUOTKFYUYKWQBMT-MNOVXSKESA-N
XLogP-1.41
TPSA88.13 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 5-1.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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 N'-[[(2R,4S)-4-(3-aminopropylamino)pyrrolidin-2-yl]methyl]propane-1,3-diamine?
The IUPAC name of N'-[[(2R,4S)-4-(3-aminopropylamino)pyrrolidin-2-yl]methyl]propane-1,3-diamine (CID 10847025) is N'-[[(2R,4S)-4-(3-aminopropylamino)pyrrolidin-2-yl]methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[[(2R,4S)-4-(3-aminopropylamino)pyrrolidin-2-yl]methyl]propane-1,3-diamine?
The canonical SMILES for N'-[[(2R,4S)-4-(3-aminopropylamino)pyrrolidin-2-yl]methyl]propane-1,3-diamine is NCCCNC[C@H]1C[C@H](NCCCN)CN1.
What is the InChIKey of N'-[[(2R,4S)-4-(3-aminopropylamino)pyrrolidin-2-yl]methyl]propane-1,3-diamine?
The InChIKey is UOTKFYUYKWQBMT-MNOVXSKESA-N. The full InChI is InChI=1S/C11H27N5/c12-3-1-5-14-8-10-7-11(9-16-10)15-6-2-4-13/h10-11,14-16H,1-9,12-13H2/t10-,11+/m1/s1.
What are the key properties of N'-[[(2R,4S)-4-(3-aminopropylamino)pyrrolidin-2-yl]methyl]propane-1,3-diamine?
N'-[[(2R,4S)-4-(3-aminopropylamino)pyrrolidin-2-yl]methyl]propane-1,3-diamine has a molecular weight of 229.37 g/mol, XLogP of -1.41, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(2R,4S)-4-(3-aminopropylamino)pyrrolidin-2-yl]methyl]propane-1,3-diamine is sourced from PubChem (CID 10847025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).