2-methylpropyl(3-morpholin-4-ium-4-ylpropyl)azanium

C11H26N2O+2 — CID 7015303

IUPAC2-methylpropyl(3-morpholin-4-ium-4-ylpropyl)azanium
SMILESCC(C)C[NH2+]CCC[NH+]1CCOCC1
InChIInChI=1S/C11H24N2O/c1-11(2)10-12-4-3-5-13-6-8-14-9-7-13/h11-12H,3-10H2,1-2H3/p+2
InChIKeyPOWBNONWENYXSB-UHFFFAOYSA-P
MW202.34 g/mol
LogP-1.49
Rot. Bonds6

About 2-methylpropyl(3-morpholin-4-ium-4-ylpropyl)azanium

2-methylpropyl(3-morpholin-4-ium-4-ylpropyl)azanium (PubChem CID 7015303) has the molecular formula C11H26N2O+2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-methylpropyl(3-morpholin-4-ium-4-ylpropyl)azanium.

Molecular Properties

Compound Name2-methylpropyl(3-morpholin-4-ium-4-ylpropyl)azanium
PubChem CID7015303
Molecular FormulaC11H26N2O+2
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name2-methylpropyl(3-morpholin-4-ium-4-ylpropyl)azanium
SMILESCC(C)C[NH2+]CCC[NH+]1CCOCC1
InChIInChI=1S/C11H24N2O/c1-11(2)10-12-4-3-5-13-6-8-14-9-7-13/h11-12H,3-10H2,1-2H3/p+2
InChIKeyPOWBNONWENYXSB-UHFFFAOYSA-P
XLogP-1.49
TPSA30.28 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-butylmorpholin-4-ium
CID 18931037
[5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 7263979
3-morpholin-4-ium-4-ylpropyl-[(E)-3-phenylprop-2-enyl]azanium
CID 7241982
[(2S)-4-(4-methoxyphenyl)butan-2-yl]-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 7014219
(2-bromo-4,5-diethoxyphenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 2215032
acetonitrile;4-butylmorpholin-4-ium
CID 86752402
4-(2-methylpropoxy)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide
CID 7379816
(3-chloro-4,5-diethoxyphenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 7458493
10-morpholin-4-ium-4-yldecan-1-ol iodide
CID 89438909
(7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 7107864
1-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-1-[(1R)-1-phenylethyl]thiourea
CID 9231849
[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[2-(4-propan-2-ylphenyl)ethyl]azanium
CID 8006727

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl(3-morpholin-4-ium-4-ylpropyl)azanium?
The IUPAC name of 2-methylpropyl(3-morpholin-4-ium-4-ylpropyl)azanium (CID 7015303) is 2-methylpropyl(3-morpholin-4-ium-4-ylpropyl)azanium.
What is the SMILES notation for 2-methylpropyl(3-morpholin-4-ium-4-ylpropyl)azanium?
The canonical SMILES for 2-methylpropyl(3-morpholin-4-ium-4-ylpropyl)azanium is CC(C)C[NH2+]CCC[NH+]1CCOCC1.
What is the InChIKey of 2-methylpropyl(3-morpholin-4-ium-4-ylpropyl)azanium?
The InChIKey is POWBNONWENYXSB-UHFFFAOYSA-P. The full InChI is InChI=1S/C11H24N2O/c1-11(2)10-12-4-3-5-13-6-8-14-9-7-13/h11-12H,3-10H2,1-2H3/p+2.
What are the key properties of 2-methylpropyl(3-morpholin-4-ium-4-ylpropyl)azanium?
2-methylpropyl(3-morpholin-4-ium-4-ylpropyl)azanium has a molecular weight of 202.34 g/mol, XLogP of -1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl(3-morpholin-4-ium-4-ylpropyl)azanium is sourced from PubChem (CID 7015303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).