N-[[3-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]methyl]propan-1-amine

C15H24ClN3O — CID 104960819

IUPACN-[[3-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1nc(N2C[C@@H](C)O[C@@H](C)C2)ccc1Cl
InChIInChI=1S/C15H24ClN3O/c1-4-7-17-8-14-13(16)5-6-15(18-14)19-9-11(2)20-12(3)10-19/h5-6,11-12,17H,4,7-10H2,1-3H3/t11-,12+
InChIKeyFXRXBYKKPHBCIV-TXEJJXNPSA-N
MW297.83 g/mol
LogP2.85
Rot. Bonds5

About N-[[3-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]methyl]propan-1-amine

N-[[3-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]methyl]propan-1-amine (PubChem CID 104960819) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[[3-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]methyl]propan-1-amine
PubChem CID104960819
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC NameN-[[3-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1nc(N2C[C@@H](C)O[C@@H](C)C2)ccc1Cl
InChIInChI=1S/C15H24ClN3O/c1-4-7-17-8-14-13(16)5-6-15(18-14)19-9-11(2)20-12(3)10-19/h5-6,11-12,17H,4,7-10H2,1-3H3/t11-,12+
InChIKeyFXRXBYKKPHBCIV-TXEJJXNPSA-N
XLogP2.85
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[3-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]methyl]propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[3-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine
CID 63619764
N-[[3-chloro-6-(1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]propan-1-amine
CID 62285900
N-[[3-chloro-6-(3,3,4-trimethylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine
CID 63619428
1-[3-chloro-6-(2,2,6-trimethylmorpholin-4-yl)-2-pyridinyl]-N-methylmethanamine
CID 62293419
N-[[5-(2,6-dimethylmorpholin-4-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107378847
N-[[3-chloro-6-(2-methylmorpholin-4-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62284426
N-[[3-chloro-6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62279963
N-[(3-chloro-6-indazol-1-yl-2-pyridinyl)methyl]propan-1-amine
CID 62295343
N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]propan-1-amine
CID 104960962
N-[[3-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methyl]ethanamine
CID 79164517
N-[[3-chloro-6-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 103539397
N-[[3-chloro-6-(2-propylpiperidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 83061614

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]methyl]propan-1-amine (CID 104960819) is N-[[3-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]methyl]propan-1-amine is CCCNCc1nc(N2C[C@@H](C)O[C@@H](C)C2)ccc1Cl.
What is the InChIKey of N-[[3-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is FXRXBYKKPHBCIV-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-4-7-17-8-14-13(16)5-6-15(18-14)19-9-11(2)20-12(3)10-19/h5-6,11-12,17H,4,7-10H2,1-3H3/t11-,12+.
What are the key properties of N-[[3-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]methyl]propan-1-amine?
N-[[3-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 297.83 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 104960819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).