N-butyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride

C14H24ClN3O — CID 52945180

IUPACN-butyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride
SMILESCCCCNc1cncc(OC[C@@H]2CCCN2)c1.Cl
InChIInChI=1S/C14H23N3O.ClH/c1-2-3-6-17-13-8-14(10-15-9-13)18-11-12-5-4-7-16-12;/h8-10,12,16-17H,2-7,11H2,1H3;1H/t12-;/m0./s1
InChIKeyDEEWLVJOAUFORT-YDALLXLXSA-N
MW285.82 g/mol
LogP2.85
Rot. Bonds7

About N-butyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride

N-butyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride (PubChem CID 52945180) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is N-butyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-butyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride
PubChem CID52945180
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC NameN-butyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride
SMILESCCCCNc1cncc(OC[C@@H]2CCCN2)c1.Cl
InChIInChI=1S/C14H23N3O.ClH/c1-2-3-6-17-13-8-14(10-15-9-13)18-11-12-5-4-7-16-12;/h8-10,12,16-17H,2-7,11H2,1H3;1H/t12-;/m0./s1
InChIKeyDEEWLVJOAUFORT-YDALLXLXSA-N
XLogP2.85
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-butyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride?
The IUPAC name of N-butyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride (CID 52945180) is N-butyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride.
What is the SMILES notation for N-butyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride?
The canonical SMILES for N-butyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride is CCCCNc1cncc(OC[C@@H]2CCCN2)c1.Cl.
What is the InChIKey of N-butyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride?
The InChIKey is DEEWLVJOAUFORT-YDALLXLXSA-N. The full InChI is InChI=1S/C14H23N3O.ClH/c1-2-3-6-17-13-8-14(10-15-9-13)18-11-12-5-4-7-16-12;/h8-10,12,16-17H,2-7,11H2,1H3;1H/t12-;/m0./s1.
What are the key properties of N-butyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride?
N-butyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride has a molecular weight of 285.82 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-3-amine;hydrochloride is sourced from PubChem (CID 52945180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).