3-ethyl-2,2,3,4,5,5-hexamethylheptan-4-amine

C15H33N — CID 88947660

IUPAC3-ethyl-2,2,3,4,5,5-hexamethylheptan-4-amine
SMILESCCC(C)(C)C(C)(N)C(C)(CC)C(C)(C)C
InChIInChI=1S/C15H33N/c1-10-13(6,7)15(9,16)14(8,11-2)12(3,4)5/h10-11,16H2,1-9H3
InChIKeyVVTZFDUIOZQJGU-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.60
Rot. Bonds4

About 3-ethyl-2,2,3,4,5,5-hexamethylheptan-4-amine

3-ethyl-2,2,3,4,5,5-hexamethylheptan-4-amine (PubChem CID 88947660) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is 3-ethyl-2,2,3,4,5,5-hexamethylheptan-4-amine.

Molecular Properties

Compound Name3-ethyl-2,2,3,4,5,5-hexamethylheptan-4-amine
PubChem CID88947660
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Name3-ethyl-2,2,3,4,5,5-hexamethylheptan-4-amine
SMILESCCC(C)(C)C(C)(N)C(C)(CC)C(C)(C)C
InChIInChI=1S/C15H33N/c1-10-13(6,7)15(9,16)14(8,11-2)12(3,4)5/h10-11,16H2,1-9H3
InChIKeyVVTZFDUIOZQJGU-UHFFFAOYSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2,3,4,5,5-hexamethylheptan-4-amine?
The IUPAC name of 3-ethyl-2,2,3,4,5,5-hexamethylheptan-4-amine (CID 88947660) is 3-ethyl-2,2,3,4,5,5-hexamethylheptan-4-amine.
What is the SMILES notation for 3-ethyl-2,2,3,4,5,5-hexamethylheptan-4-amine?
The canonical SMILES for 3-ethyl-2,2,3,4,5,5-hexamethylheptan-4-amine is CCC(C)(C)C(C)(N)C(C)(CC)C(C)(C)C.
What is the InChIKey of 3-ethyl-2,2,3,4,5,5-hexamethylheptan-4-amine?
The InChIKey is VVTZFDUIOZQJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-10-13(6,7)15(9,16)14(8,11-2)12(3,4)5/h10-11,16H2,1-9H3.
What are the key properties of 3-ethyl-2,2,3,4,5,5-hexamethylheptan-4-amine?
3-ethyl-2,2,3,4,5,5-hexamethylheptan-4-amine has a molecular weight of 227.44 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2,3,4,5,5-hexamethylheptan-4-amine is sourced from PubChem (CID 88947660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).