N-methyl-N-[[(2R,3S)-4-methyl-3-pentylmorpholin-2-yl]methyl]propan-1-amine

C15H32N2O — CID 163401723

IUPACN-methyl-N-[[(2R,3S)-4-methyl-3-pentylmorpholin-2-yl]methyl]propan-1-amine
SMILESCCCCC[C@H]1[C@@H](CN(C)CCC)OCCN1C
InChIInChI=1S/C15H32N2O/c1-5-7-8-9-14-15(13-16(3)10-6-2)18-12-11-17(14)4/h14-15H,5-13H2,1-4H3/t14-,15+/m0/s1
InChIKeyUIJQFOAOZXROMN-LSDHHAIUSA-N
MW256.43 g/mol
LogP2.61
Rot. Bonds8

About N-methyl-N-[[(2R,3S)-4-methyl-3-pentylmorpholin-2-yl]methyl]propan-1-amine

N-methyl-N-[[(2R,3S)-4-methyl-3-pentylmorpholin-2-yl]methyl]propan-1-amine (PubChem CID 163401723) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-methyl-N-[[(2R,3S)-4-methyl-3-pentylmorpholin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[(2R,3S)-4-methyl-3-pentylmorpholin-2-yl]methyl]propan-1-amine
PubChem CID163401723
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-methyl-N-[[(2R,3S)-4-methyl-3-pentylmorpholin-2-yl]methyl]propan-1-amine
SMILESCCCCC[C@H]1[C@@H](CN(C)CCC)OCCN1C
InChIInChI=1S/C15H32N2O/c1-5-7-8-9-14-15(13-16(3)10-6-2)18-12-11-17(14)4/h14-15H,5-13H2,1-4H3/t14-,15+/m0/s1
InChIKeyUIJQFOAOZXROMN-LSDHHAIUSA-N
XLogP2.61
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-N-[[(2R,3S)-4-methyl-3-pentylmorpholin-2-yl]methyl]propan-1-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-methyl-N-[[(2R,3S)-4-methyl-3-pentylmorpholin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-methyl-N-[[(2R,3S)-4-methyl-3-pentylmorpholin-2-yl]methyl]propan-1-amine (CID 163401723) is N-methyl-N-[[(2R,3S)-4-methyl-3-pentylmorpholin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-methyl-N-[[(2R,3S)-4-methyl-3-pentylmorpholin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-methyl-N-[[(2R,3S)-4-methyl-3-pentylmorpholin-2-yl]methyl]propan-1-amine is CCCCC[C@H]1[C@@H](CN(C)CCC)OCCN1C.
What is the InChIKey of N-methyl-N-[[(2R,3S)-4-methyl-3-pentylmorpholin-2-yl]methyl]propan-1-amine?
The InChIKey is UIJQFOAOZXROMN-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-7-8-9-14-15(13-16(3)10-6-2)18-12-11-17(14)4/h14-15H,5-13H2,1-4H3/t14-,15+/m0/s1.
What are the key properties of N-methyl-N-[[(2R,3S)-4-methyl-3-pentylmorpholin-2-yl]methyl]propan-1-amine?
N-methyl-N-[[(2R,3S)-4-methyl-3-pentylmorpholin-2-yl]methyl]propan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2R,3S)-4-methyl-3-pentylmorpholin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 163401723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).