N-(1-dibutylalumanyloxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine

C18H40AlNO — CID 139905288

IUPACN-(1-dibutylalumanyloxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCCCC[Al](CCCC)OC(C)N(CC(C)C)CC(C)C
InChIInChI=1S/C10H22NO.2C4H9.Al/c1-8(2)6-11(10(5)12)7-9(3)4;2*1-3-4-2;/h8-10H,6-7H2,1-5H3;2*1,3-4H2,2H3;/q-1;;;+1
InChIKeyOJLZBYYJOFSKNA-UHFFFAOYSA-N
MW313.51 g/mol
LogP5.55
Rot. Bonds13

About N-(1-dibutylalumanyloxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine

N-(1-dibutylalumanyloxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 139905288) has the molecular formula C18H40AlNO and a molecular weight of 313.51 g/mol. Its IUPAC name is N-(1-dibutylalumanyloxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound NameN-(1-dibutylalumanyloxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID139905288
Molecular FormulaC18H40AlNO
Molecular Weight313.51 g/mol
Exact Mass313.29
IUPAC NameN-(1-dibutylalumanyloxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCCCC[Al](CCCC)OC(C)N(CC(C)C)CC(C)C
InChIInChI=1S/C10H22NO.2C4H9.Al/c1-8(2)6-11(10(5)12)7-9(3)4;2*1-3-4-2;/h8-10H,6-7H2,1-5H3;2*1,3-4H2,2H3;/q-1;;;+1
InChIKeyOJLZBYYJOFSKNA-UHFFFAOYSA-N
XLogP5.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.51
LogP ≤ 55.55
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-dibutylalumanyloxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of N-(1-dibutylalumanyloxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 139905288) is N-(1-dibutylalumanyloxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for N-(1-dibutylalumanyloxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for N-(1-dibutylalumanyloxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine is CCCC[Al](CCCC)OC(C)N(CC(C)C)CC(C)C.
What is the InChIKey of N-(1-dibutylalumanyloxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is OJLZBYYJOFSKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO.2C4H9.Al/c1-8(2)6-11(10(5)12)7-9(3)4;2*1-3-4-2;/h8-10H,6-7H2,1-5H3;2*1,3-4H2,2H3;/q-1;;;+1.
What are the key properties of N-(1-dibutylalumanyloxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
N-(1-dibutylalumanyloxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 313.51 g/mol, XLogP of 5.55, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-dibutylalumanyloxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 139905288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).