N,4,5,5,6-pentamethyloctan-2-amine

C13H29N — CID 152877979

IUPACN,4,5,5,6-pentamethyloctan-2-amine
SMILESCCC(C)C(C)(C)C(C)CC(C)NC
InChIInChI=1S/C13H29N/c1-8-10(2)13(5,6)11(3)9-12(4)14-7/h10-12,14H,8-9H2,1-7H3
InChIKeyUAUOEOCVHQOOHM-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.69
Rot. Bonds6

About N,4,5,5,6-pentamethyloctan-2-amine

N,4,5,5,6-pentamethyloctan-2-amine (PubChem CID 152877979) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N,4,5,5,6-pentamethyloctan-2-amine.

Molecular Properties

Compound NameN,4,5,5,6-pentamethyloctan-2-amine
PubChem CID152877979
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN,4,5,5,6-pentamethyloctan-2-amine
SMILESCCC(C)C(C)(C)C(C)CC(C)NC
InChIInChI=1S/C13H29N/c1-8-10(2)13(5,6)11(3)9-12(4)14-7/h10-12,14H,8-9H2,1-7H3
InChIKeyUAUOEOCVHQOOHM-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,4,5,5,6-pentamethyloctan-2-amine?
The IUPAC name of N,4,5,5,6-pentamethyloctan-2-amine (CID 152877979) is N,4,5,5,6-pentamethyloctan-2-amine.
What is the SMILES notation for N,4,5,5,6-pentamethyloctan-2-amine?
The canonical SMILES for N,4,5,5,6-pentamethyloctan-2-amine is CCC(C)C(C)(C)C(C)CC(C)NC.
What is the InChIKey of N,4,5,5,6-pentamethyloctan-2-amine?
The InChIKey is UAUOEOCVHQOOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-8-10(2)13(5,6)11(3)9-12(4)14-7/h10-12,14H,8-9H2,1-7H3.
What are the key properties of N,4,5,5,6-pentamethyloctan-2-amine?
N,4,5,5,6-pentamethyloctan-2-amine has a molecular weight of 199.38 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,5,5,6-pentamethyloctan-2-amine is sourced from PubChem (CID 152877979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).