N,N,2-trimethyloctan-4-amine

C11H25N — CID 90881250

IUPACN,N,2-trimethyloctan-4-amine
SMILESCCCCC(CC(C)C)N(C)C
InChIInChI=1S/C11H25N/c1-6-7-8-11(12(4)5)9-10(2)3/h10-11H,6-9H2,1-5H3
InChIKeyTTWUNSLKNZPGOL-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.15
Rot. Bonds6

About N,N,2-trimethyloctan-4-amine

N,N,2-trimethyloctan-4-amine (PubChem CID 90881250) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N,N,2-trimethyloctan-4-amine.

Molecular Properties

Compound NameN,N,2-trimethyloctan-4-amine
PubChem CID90881250
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN,N,2-trimethyloctan-4-amine
SMILESCCCCC(CC(C)C)N(C)C
InChIInChI=1S/C11H25N/c1-6-7-8-11(12(4)5)9-10(2)3/h10-11H,6-9H2,1-5H3
InChIKeyTTWUNSLKNZPGOL-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyloctan-4-amine?
The IUPAC name of N,N,2-trimethyloctan-4-amine (CID 90881250) is N,N,2-trimethyloctan-4-amine.
What is the SMILES notation for N,N,2-trimethyloctan-4-amine?
The canonical SMILES for N,N,2-trimethyloctan-4-amine is CCCCC(CC(C)C)N(C)C.
What is the InChIKey of N,N,2-trimethyloctan-4-amine?
The InChIKey is TTWUNSLKNZPGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-6-7-8-11(12(4)5)9-10(2)3/h10-11H,6-9H2,1-5H3.
What are the key properties of N,N,2-trimethyloctan-4-amine?
N,N,2-trimethyloctan-4-amine has a molecular weight of 171.33 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyloctan-4-amine is sourced from PubChem (CID 90881250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).