N-[1-[bis(2-methylpropyl)alumanyloxy]ethyl]-N-propylpropan-1-amine

C16H36AlNO — CID 139905319

IUPACN-[1-[bis(2-methylpropyl)alumanyloxy]ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)C(C)O[Al](CC(C)C)CC(C)C
InChIInChI=1S/C8H18NO.2C4H9.Al/c1-4-6-9(7-5-2)8(3)10;2*1-4(2)3;/h8H,4-7H2,1-3H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyLTFMUEMGVRIZMK-UHFFFAOYSA-N
MW285.45 g/mol
LogP4.77
Rot. Bonds11

About N-[1-[bis(2-methylpropyl)alumanyloxy]ethyl]-N-propylpropan-1-amine

N-[1-[bis(2-methylpropyl)alumanyloxy]ethyl]-N-propylpropan-1-amine (PubChem CID 139905319) has the molecular formula C16H36AlNO and a molecular weight of 285.45 g/mol. Its IUPAC name is N-[1-[bis(2-methylpropyl)alumanyloxy]ethyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[1-[bis(2-methylpropyl)alumanyloxy]ethyl]-N-propylpropan-1-amine
PubChem CID139905319
Molecular FormulaC16H36AlNO
Molecular Weight285.45 g/mol
Exact Mass285.26
IUPAC NameN-[1-[bis(2-methylpropyl)alumanyloxy]ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)C(C)O[Al](CC(C)C)CC(C)C
InChIInChI=1S/C8H18NO.2C4H9.Al/c1-4-6-9(7-5-2)8(3)10;2*1-4(2)3;/h8H,4-7H2,1-3H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyLTFMUEMGVRIZMK-UHFFFAOYSA-N
XLogP4.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[bis(2-methylpropyl)alumanyloxy]ethyl]-N-propylpropan-1-amine?
The IUPAC name of N-[1-[bis(2-methylpropyl)alumanyloxy]ethyl]-N-propylpropan-1-amine (CID 139905319) is N-[1-[bis(2-methylpropyl)alumanyloxy]ethyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[1-[bis(2-methylpropyl)alumanyloxy]ethyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[1-[bis(2-methylpropyl)alumanyloxy]ethyl]-N-propylpropan-1-amine is CCCN(CCC)C(C)O[Al](CC(C)C)CC(C)C.
What is the InChIKey of N-[1-[bis(2-methylpropyl)alumanyloxy]ethyl]-N-propylpropan-1-amine?
The InChIKey is LTFMUEMGVRIZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO.2C4H9.Al/c1-4-6-9(7-5-2)8(3)10;2*1-4(2)3;/h8H,4-7H2,1-3H3;2*4H,1H2,2-3H3;/q-1;;;+1.
What are the key properties of N-[1-[bis(2-methylpropyl)alumanyloxy]ethyl]-N-propylpropan-1-amine?
N-[1-[bis(2-methylpropyl)alumanyloxy]ethyl]-N-propylpropan-1-amine has a molecular weight of 285.45 g/mol, XLogP of 4.77, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[bis(2-methylpropyl)alumanyloxy]ethyl]-N-propylpropan-1-amine is sourced from PubChem (CID 139905319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).