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

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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).