N-alumanyl-2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine

C11H26AlNO — CID 156656446

IUPACN-alumanyl-2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine
SMILESCC(C)(C)OCCCN([AlH2])C(C)(C)C
InChIInChI=1S/C11H24NO.Al.2H/c1-10(2,3)12-8-7-9-13-11(4,5)6;;;/h7-9H2,1-6H3;;;/q-1;+1;;
InChIKeyPAVCEDRMIVEKMR-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.84
Rot. Bonds4

About N-alumanyl-2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine

N-alumanyl-2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine (PubChem CID 156656446) has the molecular formula C11H26AlNO and a molecular weight of 215.32 g/mol. Its IUPAC name is N-alumanyl-2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine.

Molecular Properties

Compound NameN-alumanyl-2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine
PubChem CID156656446
Molecular FormulaC11H26AlNO
Molecular Weight215.32 g/mol
Exact Mass215.18
IUPAC NameN-alumanyl-2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine
SMILESCC(C)(C)OCCCN([AlH2])C(C)(C)C
InChIInChI=1S/C11H24NO.Al.2H/c1-10(2,3)12-8-7-9-13-11(4,5)6;;;/h7-9H2,1-6H3;;;/q-1;+1;;
InChIKeyPAVCEDRMIVEKMR-UHFFFAOYSA-N
XLogP1.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-alumanyl-N-(2-methoxyethyl)-2-methylpropan-2-amine
CID 156656454
N-tert-butyl-2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine
CID 122631646
7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
CID 22907243
2-(3-methoxypropoxy)-2-methylpropane
CID 13445097
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 546092
N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]oxetan-3-amine
CID 176757767
1-fluoro-4-[(2-methylpropan-2-yl)oxy]butane
CID 166005910
4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 18672802
6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane
CID 159349044
9-[(2-methylpropan-2-yl)oxy]nonane-1-thiol
CID 105344392
N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-piperazin-1-ylbutan-1-amine
CID 170390265
1-ethoxy-5-[(2-methylpropan-2-yl)oxy]pentane
CID 88911131

Frequently Asked Questions

What is the IUPAC name of N-alumanyl-2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine?
The IUPAC name of N-alumanyl-2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine (CID 156656446) is N-alumanyl-2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine.
What is the SMILES notation for N-alumanyl-2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine?
The canonical SMILES for N-alumanyl-2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine is CC(C)(C)OCCCN([AlH2])C(C)(C)C.
What is the InChIKey of N-alumanyl-2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine?
The InChIKey is PAVCEDRMIVEKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO.Al.2H/c1-10(2,3)12-8-7-9-13-11(4,5)6;;;/h7-9H2,1-6H3;;;/q-1;+1;;.
What are the key properties of N-alumanyl-2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine?
N-alumanyl-2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine has a molecular weight of 215.32 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-alumanyl-2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine is sourced from PubChem (CID 156656446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).