5-chloro-N,3,7-trimethyloctan-3-amine

C11H24ClN — CID 143529465

IUPAC5-chloro-N,3,7-trimethyloctan-3-amine
SMILESCCC(C)(CC(Cl)CC(C)C)NC
InChIInChI=1S/C11H24ClN/c1-6-11(4,13-5)8-10(12)7-9(2)3/h9-10,13H,6-8H2,1-5H3
InChIKeyWNEMDWSJADJXDP-UHFFFAOYSA-N
MW205.77 g/mol
LogP3.42
Rot. Bonds6

About 5-chloro-N,3,7-trimethyloctan-3-amine

5-chloro-N,3,7-trimethyloctan-3-amine (PubChem CID 143529465) has the molecular formula C11H24ClN and a molecular weight of 205.77 g/mol. Its IUPAC name is 5-chloro-N,3,7-trimethyloctan-3-amine.

Molecular Properties

Compound Name5-chloro-N,3,7-trimethyloctan-3-amine
PubChem CID143529465
Molecular FormulaC11H24ClN
Molecular Weight205.77 g/mol
Exact Mass205.16
IUPAC Name5-chloro-N,3,7-trimethyloctan-3-amine
SMILESCCC(C)(CC(Cl)CC(C)C)NC
InChIInChI=1S/C11H24ClN/c1-6-11(4,13-5)8-10(12)7-9(2)3/h9-10,13H,6-8H2,1-5H3
InChIKeyWNEMDWSJADJXDP-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.77
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,3,7-trimethyloctan-3-amine?
The IUPAC name of 5-chloro-N,3,7-trimethyloctan-3-amine (CID 143529465) is 5-chloro-N,3,7-trimethyloctan-3-amine.
What is the SMILES notation for 5-chloro-N,3,7-trimethyloctan-3-amine?
The canonical SMILES for 5-chloro-N,3,7-trimethyloctan-3-amine is CCC(C)(CC(Cl)CC(C)C)NC.
What is the InChIKey of 5-chloro-N,3,7-trimethyloctan-3-amine?
The InChIKey is WNEMDWSJADJXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClN/c1-6-11(4,13-5)8-10(12)7-9(2)3/h9-10,13H,6-8H2,1-5H3.
What are the key properties of 5-chloro-N,3,7-trimethyloctan-3-amine?
5-chloro-N,3,7-trimethyloctan-3-amine has a molecular weight of 205.77 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,3,7-trimethyloctan-3-amine is sourced from PubChem (CID 143529465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).