3-[[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]amino]propan-1-ol

C13H22N4O — CID 24850913

IUPAC3-[[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]amino]propan-1-ol
SMILESNc1cccc(C[C@H]2CNC[C@H]2NCCCO)n1
InChIInChI=1S/C13H22N4O/c14-13-4-1-3-11(17-13)7-10-8-15-9-12(10)16-5-2-6-18/h1,3-4,10,12,15-16,18H,2,5-9H2,(H2,14,17)/t10-,12+/m0/s1
InChIKeySJAGNBCHAAJNEQ-CMPLNLGQSA-N
MW250.35 g/mol
LogP-0.23
Rot. Bonds6

About 3-[[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]amino]propan-1-ol

3-[[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]amino]propan-1-ol (PubChem CID 24850913) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]amino]propan-1-ol
PubChem CID24850913
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-[[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]amino]propan-1-ol
SMILESNc1cccc(C[C@H]2CNC[C@H]2NCCCO)n1
InChIInChI=1S/C13H22N4O/c14-13-4-1-3-11(17-13)7-10-8-15-9-12(10)16-5-2-6-18/h1,3-4,10,12,15-16,18H,2,5-9H2,(H2,14,17)/t10-,12+/m0/s1
InChIKeySJAGNBCHAAJNEQ-CMPLNLGQSA-N
XLogP-0.23
TPSA83.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]amino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]amino]propan-1-ol?
The IUPAC name of 3-[[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]amino]propan-1-ol (CID 24850913) is 3-[[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]amino]propan-1-ol is Nc1cccc(C[C@H]2CNC[C@H]2NCCCO)n1.
What is the InChIKey of 3-[[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]amino]propan-1-ol?
The InChIKey is SJAGNBCHAAJNEQ-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H22N4O/c14-13-4-1-3-11(17-13)7-10-8-15-9-12(10)16-5-2-6-18/h1,3-4,10,12,15-16,18H,2,5-9H2,(H2,14,17)/t10-,12+/m0/s1.
What are the key properties of 3-[[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]amino]propan-1-ol?
3-[[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]amino]propan-1-ol has a molecular weight of 250.35 g/mol, XLogP of -0.23, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]amino]propan-1-ol is sourced from PubChem (CID 24850913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).