N-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine

C13H27N3O2 — CID 79038222

IUPACN-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCN1CCOC(CNCCCN2CCOCC2)C1
InChIInChI=1S/C13H27N3O2/c1-15-5-10-18-13(12-15)11-14-3-2-4-16-6-8-17-9-7-16/h13-14H,2-12H2,1H3
InChIKeyDSPUVAZBETVCEP-UHFFFAOYSA-N
MW257.38 g/mol
LogP-0.37
Rot. Bonds6

About N-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine

N-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 79038222) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID79038222
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCN1CCOC(CNCCCN2CCOCC2)C1
InChIInChI=1S/C13H27N3O2/c1-15-5-10-18-13(12-15)11-14-3-2-4-16-6-8-17-9-7-16/h13-14H,2-12H2,1H3
InChIKeyDSPUVAZBETVCEP-UHFFFAOYSA-N
XLogP-0.37
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79181889
3-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
CID 93262389
N-[(4-ethylmorpholin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 79165338
N-[2-[(4-methylmorpholin-2-yl)methylamino]ethyl]methanesulfonamide
CID 78950380
methyl 4-[(4-methylmorpholin-2-yl)methylamino]butanoate
CID 78967404
N-[(4-methylmorpholin-2-yl)methyl]-3-phenylpropan-1-amine
CID 78945255
N'-hydroxy-4-[(4-methylmorpholin-2-yl)methylamino]butanimidamide
CID 79072308
3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid
CID 95328025
3-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945349
N-(1,4-dioxan-2-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 61494260
N'-cyclopropyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79172100
2-[2-[(4-methylmorpholin-2-yl)methylamino]ethoxy]ethanol
CID 78998731

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 79038222) is N-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine is CN1CCOC(CNCCCN2CCOCC2)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is DSPUVAZBETVCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-15-5-10-18-13(12-15)11-14-3-2-4-16-6-8-17-9-7-16/h13-14H,2-12H2,1H3.
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 257.38 g/mol, XLogP of -0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 79038222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).