6-[[(3S,4R)-4-[[(3S)-pyrrolidin-3-yl]amino]pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride

C14H24ClN5 — CID 52941903

IUPAC6-[[(3S,4R)-4-[[(3S)-pyrrolidin-3-yl]amino]pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride
SMILESCl.Nc1cccc(C[C@H]2CNC[C@@H]2N[C@H]2CCNC2)n1
InChIInChI=1S/C14H23N5.ClH/c15-14-3-1-2-11(19-14)6-10-7-17-9-13(10)18-12-4-5-16-8-12;/h1-3,10,12-13,16-18H,4-9H2,(H2,15,19);1H/t10-,12-,13-;/m0./s1
InChIKeyKLYDEEXSMDAOFN-VHJJOGJUSA-N
MW297.83 g/mol
LogP0.17
Rot. Bonds4

About 6-[[(3S,4R)-4-[[(3S)-pyrrolidin-3-yl]amino]pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride

6-[[(3S,4R)-4-[[(3S)-pyrrolidin-3-yl]amino]pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride (PubChem CID 52941903) has the molecular formula C14H24ClN5 and a molecular weight of 297.83 g/mol. Its IUPAC name is 6-[[(3S,4R)-4-[[(3S)-pyrrolidin-3-yl]amino]pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name6-[[(3S,4R)-4-[[(3S)-pyrrolidin-3-yl]amino]pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride
PubChem CID52941903
Molecular FormulaC14H24ClN5
Molecular Weight297.83 g/mol
Exact Mass297.17
IUPAC Name6-[[(3S,4R)-4-[[(3S)-pyrrolidin-3-yl]amino]pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride
SMILESCl.Nc1cccc(C[C@H]2CNC[C@@H]2N[C@H]2CCNC2)n1
InChIInChI=1S/C14H23N5.ClH/c15-14-3-1-2-11(19-14)6-10-7-17-9-13(10)18-12-4-5-16-8-12;/h1-3,10,12-13,16-18H,4-9H2,(H2,15,19);1H/t10-,12-,13-;/m0./s1
InChIKeyKLYDEEXSMDAOFN-VHJJOGJUSA-N
XLogP0.17
TPSA75.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-[[(3S,4R)-4-[[(3S)-pyrrolidin-3-yl]amino]pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride with MolForge

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Related Compounds

N-((3S,4S)-4-((6-Amino-4-methylpyridin-2-YL)methyl)pyrrolidin-3-YL)-N'-(4-chlorobenzyl)ethane-1,2-diamine
CID 24798097
N-((3R,4S)-4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)-N'-(3-chlorobenzyl)ethane-1,2-diamine
CID 25021186
N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine
CID 24850786
N-{(3r,4r)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}-N'-[2-(3-Fluorophenyl)ethyl]ethane-1,2-Diamine
CID 24764596
N-{(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 24798098
3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol
CID 24850913
N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 45259040
N-{(3s,4r)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}-N'-[2-(3-Fluorophenyl)ethyl]ethane-1,2-Diamine
CID 45259041
N'-[4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 44592966
N'-[(3S,4S)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-N-[(4-chlorophenyl)methyl]ethane-1,2-diamine;hydrochloride
CID 44570760
N'-[(3S,4S)-4-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]ethane-1,2-diamine;hydrochloride
CID 44570842
4-Methyl-6-[3-(methylamino)propyl]pyridin-2-amine
CID 162463142

Frequently Asked Questions

What is the IUPAC name of 6-[[(3S,4R)-4-[[(3S)-pyrrolidin-3-yl]amino]pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride?
The IUPAC name of 6-[[(3S,4R)-4-[[(3S)-pyrrolidin-3-yl]amino]pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride (CID 52941903) is 6-[[(3S,4R)-4-[[(3S)-pyrrolidin-3-yl]amino]pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride.
What is the SMILES notation for 6-[[(3S,4R)-4-[[(3S)-pyrrolidin-3-yl]amino]pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride?
The canonical SMILES for 6-[[(3S,4R)-4-[[(3S)-pyrrolidin-3-yl]amino]pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride is Cl.Nc1cccc(C[C@H]2CNC[C@@H]2N[C@H]2CCNC2)n1.
What is the InChIKey of 6-[[(3S,4R)-4-[[(3S)-pyrrolidin-3-yl]amino]pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride?
The InChIKey is KLYDEEXSMDAOFN-VHJJOGJUSA-N. The full InChI is InChI=1S/C14H23N5.ClH/c15-14-3-1-2-11(19-14)6-10-7-17-9-13(10)18-12-4-5-16-8-12;/h1-3,10,12-13,16-18H,4-9H2,(H2,15,19);1H/t10-,12-,13-;/m0./s1.
What are the key properties of 6-[[(3S,4R)-4-[[(3S)-pyrrolidin-3-yl]amino]pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride?
6-[[(3S,4R)-4-[[(3S)-pyrrolidin-3-yl]amino]pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 0.17, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3S,4R)-4-[[(3S)-pyrrolidin-3-yl]amino]pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride is sourced from PubChem (CID 52941903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).