N-[(2S)-2-[(3S)-3-methylmorpholin-4-yl]propyl]pyridin-2-amine

C13H21N3O — CID 96527242

IUPACN-[(2S)-2-[(3S)-3-methylmorpholin-4-yl]propyl]pyridin-2-amine
SMILESC[C@@H](CNc1ccccn1)N1CCOC[C@@H]1C
InChIInChI=1S/C13H21N3O/c1-11(16-7-8-17-10-12(16)2)9-15-13-5-3-4-6-14-13/h3-6,11-12H,7-10H2,1-2H3,(H,14,15)/t11-,12-/m0/s1
InChIKeyVQUWFVMPQYWEHW-RYUDHWBXSA-N
MW235.33 g/mol
LogP1.60
Rot. Bonds4

About N-[(2S)-2-[(3S)-3-methylmorpholin-4-yl]propyl]pyridin-2-amine

N-[(2S)-2-[(3S)-3-methylmorpholin-4-yl]propyl]pyridin-2-amine (PubChem CID 96527242) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(2S)-2-[(3S)-3-methylmorpholin-4-yl]propyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(2S)-2-[(3S)-3-methylmorpholin-4-yl]propyl]pyridin-2-amine
PubChem CID96527242
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[(2S)-2-[(3S)-3-methylmorpholin-4-yl]propyl]pyridin-2-amine
SMILESC[C@@H](CNc1ccccn1)N1CCOC[C@@H]1C
InChIInChI=1S/C13H21N3O/c1-11(16-7-8-17-10-12(16)2)9-15-13-5-3-4-6-14-13/h3-6,11-12H,7-10H2,1-2H3,(H,14,15)/t11-,12-/m0/s1
InChIKeyVQUWFVMPQYWEHW-RYUDHWBXSA-N
XLogP1.60
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-[(3S)-3-methylmorpholin-4-yl]propyl]pyridin-2-amine 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 N-[(2S)-2-[(3S)-3-methylmorpholin-4-yl]propyl]pyridin-2-amine?
The IUPAC name of N-[(2S)-2-[(3S)-3-methylmorpholin-4-yl]propyl]pyridin-2-amine (CID 96527242) is N-[(2S)-2-[(3S)-3-methylmorpholin-4-yl]propyl]pyridin-2-amine.
What is the SMILES notation for N-[(2S)-2-[(3S)-3-methylmorpholin-4-yl]propyl]pyridin-2-amine?
The canonical SMILES for N-[(2S)-2-[(3S)-3-methylmorpholin-4-yl]propyl]pyridin-2-amine is C[C@@H](CNc1ccccn1)N1CCOC[C@@H]1C.
What is the InChIKey of N-[(2S)-2-[(3S)-3-methylmorpholin-4-yl]propyl]pyridin-2-amine?
The InChIKey is VQUWFVMPQYWEHW-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11(16-7-8-17-10-12(16)2)9-15-13-5-3-4-6-14-13/h3-6,11-12H,7-10H2,1-2H3,(H,14,15)/t11-,12-/m0/s1.
What are the key properties of N-[(2S)-2-[(3S)-3-methylmorpholin-4-yl]propyl]pyridin-2-amine?
N-[(2S)-2-[(3S)-3-methylmorpholin-4-yl]propyl]pyridin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(3S)-3-methylmorpholin-4-yl]propyl]pyridin-2-amine is sourced from PubChem (CID 96527242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).