N-methyl-3-morpholin-4-ylpropan-1-amine;2-propan-2-ylmorpholine

C15H33N3O2 — CID 177026152

IUPACN-methyl-3-morpholin-4-ylpropan-1-amine;2-propan-2-ylmorpholine
SMILESCC(C)C1CNCCO1.CNCCCN1CCOCC1
InChIInChI=1S/C8H18N2O.C7H15NO/c1-9-3-2-4-10-5-7-11-8-6-10;1-6(2)7-5-8-3-4-9-7/h9H,2-8H2,1H3;6-8H,3-5H2,1-2H3
InChIKeyXACNXRQFSUUNBA-UHFFFAOYSA-N
MW287.45 g/mol
LogP0.56
Rot. Bonds5

About N-methyl-3-morpholin-4-ylpropan-1-amine;2-propan-2-ylmorpholine

N-methyl-3-morpholin-4-ylpropan-1-amine;2-propan-2-ylmorpholine (PubChem CID 177026152) has the molecular formula C15H33N3O2 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-methyl-3-morpholin-4-ylpropan-1-amine;2-propan-2-ylmorpholine.

Molecular Properties

Compound NameN-methyl-3-morpholin-4-ylpropan-1-amine;2-propan-2-ylmorpholine
PubChem CID177026152
Molecular FormulaC15H33N3O2
Molecular Weight287.45 g/mol
Exact Mass287.26
IUPAC NameN-methyl-3-morpholin-4-ylpropan-1-amine;2-propan-2-ylmorpholine
SMILESCC(C)C1CNCCO1.CNCCCN1CCOCC1
InChIInChI=1S/C8H18N2O.C7H15NO/c1-9-3-2-4-10-5-7-11-8-6-10;1-6(2)7-5-8-3-4-9-7/h9H,2-8H2,1H3;6-8H,3-5H2,1-2H3
InChIKeyXACNXRQFSUUNBA-UHFFFAOYSA-N
XLogP0.56
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-(2-morpholin-4-ylethoxy)propan-1-amine
CID 163400432
N-methyl-2-morpholin-4-ylethanamine;molecular hydrogen
CID 143640277
N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497352
4-[3-(methylamino)propyl]morpholine-2-carbonitrile
CID 79681736
N-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62775254
(2R)-2-[(2S)-butan-2-yl]morpholine
CID 57122298
N-methyl-3-(3-propan-2-ylazetidin-1-yl)propan-1-amine
CID 79678218
N-methyl-2-(3-morpholin-4-ylpropylamino)propanamide
CID 43236781
4-[2-[2-(2-methylpropyl)piperazin-1-yl]ethyl]morpholine
CID 82245440
2-[2-methyl-1-(4-morpholin-4-ylphenyl)propyl]morpholine
CID 174964777
ethane;N-ethyl-3-morpholin-4-ylpropan-1-amine
CID 170595450
N-methyl-2-morpholin-2-ylethanamine
CID 14652595

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-morpholin-4-ylpropan-1-amine;2-propan-2-ylmorpholine?
The IUPAC name of N-methyl-3-morpholin-4-ylpropan-1-amine;2-propan-2-ylmorpholine (CID 177026152) is N-methyl-3-morpholin-4-ylpropan-1-amine;2-propan-2-ylmorpholine.
What is the SMILES notation for N-methyl-3-morpholin-4-ylpropan-1-amine;2-propan-2-ylmorpholine?
The canonical SMILES for N-methyl-3-morpholin-4-ylpropan-1-amine;2-propan-2-ylmorpholine is CC(C)C1CNCCO1.CNCCCN1CCOCC1.
What is the InChIKey of N-methyl-3-morpholin-4-ylpropan-1-amine;2-propan-2-ylmorpholine?
The InChIKey is XACNXRQFSUUNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.C7H15NO/c1-9-3-2-4-10-5-7-11-8-6-10;1-6(2)7-5-8-3-4-9-7/h9H,2-8H2,1H3;6-8H,3-5H2,1-2H3.
What are the key properties of N-methyl-3-morpholin-4-ylpropan-1-amine;2-propan-2-ylmorpholine?
N-methyl-3-morpholin-4-ylpropan-1-amine;2-propan-2-ylmorpholine has a molecular weight of 287.45 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-morpholin-4-ylpropan-1-amine;2-propan-2-ylmorpholine is sourced from PubChem (CID 177026152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).