2,3,5,6,7-pentamethyloctan-4-amine

C13H29N — CID 130441412

IUPAC2,3,5,6,7-pentamethyloctan-4-amine
SMILESCC(C)C(C)C(C)C(N)C(C)C(C)C
InChIInChI=1S/C13H29N/c1-8(2)10(5)12(7)13(14)11(6)9(3)4/h8-13H,14H2,1-7H3
InChIKeyNKWNFJGWAXBZLT-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.53
Rot. Bonds5

About 2,3,5,6,7-pentamethyloctan-4-amine

2,3,5,6,7-pentamethyloctan-4-amine (PubChem CID 130441412) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 2,3,5,6,7-pentamethyloctan-4-amine.

Molecular Properties

Compound Name2,3,5,6,7-pentamethyloctan-4-amine
PubChem CID130441412
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name2,3,5,6,7-pentamethyloctan-4-amine
SMILESCC(C)C(C)C(C)C(N)C(C)C(C)C
InChIInChI=1S/C13H29N/c1-8(2)10(5)12(7)13(14)11(6)9(3)4/h8-13H,14H2,1-7H3
InChIKeyNKWNFJGWAXBZLT-UHFFFAOYSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7-pentamethyloctan-4-amine?
The IUPAC name of 2,3,5,6,7-pentamethyloctan-4-amine (CID 130441412) is 2,3,5,6,7-pentamethyloctan-4-amine.
What is the SMILES notation for 2,3,5,6,7-pentamethyloctan-4-amine?
The canonical SMILES for 2,3,5,6,7-pentamethyloctan-4-amine is CC(C)C(C)C(C)C(N)C(C)C(C)C.
What is the InChIKey of 2,3,5,6,7-pentamethyloctan-4-amine?
The InChIKey is NKWNFJGWAXBZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-8(2)10(5)12(7)13(14)11(6)9(3)4/h8-13H,14H2,1-7H3.
What are the key properties of 2,3,5,6,7-pentamethyloctan-4-amine?
2,3,5,6,7-pentamethyloctan-4-amine has a molecular weight of 199.38 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7-pentamethyloctan-4-amine is sourced from PubChem (CID 130441412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).