2,2,4-triethyl-N-methylhexan-1-amine

C13H29N — CID 82930849

IUPAC2,2,4-triethyl-N-methylhexan-1-amine
SMILESCCC(CC)CC(CC)(CC)CNC
InChIInChI=1S/C13H29N/c1-6-12(7-2)10-13(8-3,9-4)11-14-5/h12,14H,6-11H2,1-5H3
InChIKeyMZEIEDOUTPHCPK-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.84
Rot. Bonds8

About 2,2,4-triethyl-N-methylhexan-1-amine

2,2,4-triethyl-N-methylhexan-1-amine (PubChem CID 82930849) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 2,2,4-triethyl-N-methylhexan-1-amine.

Molecular Properties

Compound Name2,2,4-triethyl-N-methylhexan-1-amine
PubChem CID82930849
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name2,2,4-triethyl-N-methylhexan-1-amine
SMILESCCC(CC)CC(CC)(CC)CNC
InChIInChI=1S/C13H29N/c1-6-12(7-2)10-13(8-3,9-4)11-14-5/h12,14H,6-11H2,1-5H3
InChIKeyMZEIEDOUTPHCPK-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-triethyl-N-methylhexan-1-amine?
The IUPAC name of 2,2,4-triethyl-N-methylhexan-1-amine (CID 82930849) is 2,2,4-triethyl-N-methylhexan-1-amine.
What is the SMILES notation for 2,2,4-triethyl-N-methylhexan-1-amine?
The canonical SMILES for 2,2,4-triethyl-N-methylhexan-1-amine is CCC(CC)CC(CC)(CC)CNC.
What is the InChIKey of 2,2,4-triethyl-N-methylhexan-1-amine?
The InChIKey is MZEIEDOUTPHCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-6-12(7-2)10-13(8-3,9-4)11-14-5/h12,14H,6-11H2,1-5H3.
What are the key properties of 2,2,4-triethyl-N-methylhexan-1-amine?
2,2,4-triethyl-N-methylhexan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-triethyl-N-methylhexan-1-amine is sourced from PubChem (CID 82930849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).