N,4-diethyloctan-4-amine

C12H27N — CID 581972

IUPACN,4-diethyloctan-4-amine
SMILESCCCCC(CC)(CCC)NCC
InChIInChI=1S/C12H27N/c1-5-9-11-12(7-3,10-6-2)13-8-4/h13H,5-11H2,1-4H3
InChIKeySNDWLZDGCBDLBN-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.73
Rot. Bonds8

About N,4-diethyloctan-4-amine

N,4-diethyloctan-4-amine (PubChem CID 581972) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N,4-diethyloctan-4-amine.

Molecular Properties

Compound NameN,4-diethyloctan-4-amine
PubChem CID581972
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN,4-diethyloctan-4-amine
SMILESCCCCC(CC)(CCC)NCC
InChIInChI=1S/C12H27N/c1-5-9-11-12(7-3,10-6-2)13-8-4/h13H,5-11H2,1-4H3
InChIKeySNDWLZDGCBDLBN-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,4-diethyloctan-4-amine?
The IUPAC name of N,4-diethyloctan-4-amine (CID 581972) is N,4-diethyloctan-4-amine.
What is the SMILES notation for N,4-diethyloctan-4-amine?
The canonical SMILES for N,4-diethyloctan-4-amine is CCCCC(CC)(CCC)NCC.
What is the InChIKey of N,4-diethyloctan-4-amine?
The InChIKey is SNDWLZDGCBDLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-5-9-11-12(7-3,10-6-2)13-8-4/h13H,5-11H2,1-4H3.
What are the key properties of N,4-diethyloctan-4-amine?
N,4-diethyloctan-4-amine has a molecular weight of 185.35 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyloctan-4-amine is sourced from PubChem (CID 581972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).