N-(4-ethoxy-2,4-dimethylpentan-2-yl)-2,4,4,5-tetramethylheptan-2-amine

C20H43NO — CID 139506507

IUPACN-(4-ethoxy-2,4-dimethylpentan-2-yl)-2,4,4,5-tetramethylheptan-2-amine
SMILESCCOC(C)(C)CC(C)(C)NC(C)(C)CC(C)(C)C(C)CC
InChIInChI=1S/C20H43NO/c1-12-16(3)17(4,5)14-18(6,7)21-19(8,9)15-20(10,11)22-13-2/h16,21H,12-15H2,1-11H3
InChIKeyHZDIASBYCQBGGY-UHFFFAOYSA-N
MW313.57 g/mol
LogP5.80
Rot. Bonds10

About N-(4-ethoxy-2,4-dimethylpentan-2-yl)-2,4,4,5-tetramethylheptan-2-amine

N-(4-ethoxy-2,4-dimethylpentan-2-yl)-2,4,4,5-tetramethylheptan-2-amine (PubChem CID 139506507) has the molecular formula C20H43NO and a molecular weight of 313.57 g/mol. Its IUPAC name is N-(4-ethoxy-2,4-dimethylpentan-2-yl)-2,4,4,5-tetramethylheptan-2-amine.

Molecular Properties

Compound NameN-(4-ethoxy-2,4-dimethylpentan-2-yl)-2,4,4,5-tetramethylheptan-2-amine
PubChem CID139506507
Molecular FormulaC20H43NO
Molecular Weight313.57 g/mol
Exact Mass313.33
IUPAC NameN-(4-ethoxy-2,4-dimethylpentan-2-yl)-2,4,4,5-tetramethylheptan-2-amine
SMILESCCOC(C)(C)CC(C)(C)NC(C)(C)CC(C)(C)C(C)CC
InChIInChI=1S/C20H43NO/c1-12-16(3)17(4,5)14-18(6,7)21-19(8,9)15-20(10,11)22-13-2/h16,21H,12-15H2,1-11H3
InChIKeyHZDIASBYCQBGGY-UHFFFAOYSA-N
XLogP5.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.57
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2,4-dimethylpentan-2-yl)-2,4,4,5-tetramethylheptan-2-amine?
The IUPAC name of N-(4-ethoxy-2,4-dimethylpentan-2-yl)-2,4,4,5-tetramethylheptan-2-amine (CID 139506507) is N-(4-ethoxy-2,4-dimethylpentan-2-yl)-2,4,4,5-tetramethylheptan-2-amine.
What is the SMILES notation for N-(4-ethoxy-2,4-dimethylpentan-2-yl)-2,4,4,5-tetramethylheptan-2-amine?
The canonical SMILES for N-(4-ethoxy-2,4-dimethylpentan-2-yl)-2,4,4,5-tetramethylheptan-2-amine is CCOC(C)(C)CC(C)(C)NC(C)(C)CC(C)(C)C(C)CC.
What is the InChIKey of N-(4-ethoxy-2,4-dimethylpentan-2-yl)-2,4,4,5-tetramethylheptan-2-amine?
The InChIKey is HZDIASBYCQBGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO/c1-12-16(3)17(4,5)14-18(6,7)21-19(8,9)15-20(10,11)22-13-2/h16,21H,12-15H2,1-11H3.
What are the key properties of N-(4-ethoxy-2,4-dimethylpentan-2-yl)-2,4,4,5-tetramethylheptan-2-amine?
N-(4-ethoxy-2,4-dimethylpentan-2-yl)-2,4,4,5-tetramethylheptan-2-amine has a molecular weight of 313.57 g/mol, XLogP of 5.80, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2,4-dimethylpentan-2-yl)-2,4,4,5-tetramethylheptan-2-amine is sourced from PubChem (CID 139506507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).