4-ethyl-N,2,3-trimethylhexan-1-amine

C11H25N — CID 81016433

IUPAC4-ethyl-N,2,3-trimethylhexan-1-amine
SMILESCCC(CC)C(C)C(C)CNC
InChIInChI=1S/C11H25N/c1-6-11(7-2)10(4)9(3)8-12-5/h9-12H,6-8H2,1-5H3
InChIKeyYBPCWQVWDLSWES-UHFFFAOYSA-N
MW171.33 g/mol
LogP2.91
Rot. Bonds6

About 4-ethyl-N,2,3-trimethylhexan-1-amine

4-ethyl-N,2,3-trimethylhexan-1-amine (PubChem CID 81016433) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 4-ethyl-N,2,3-trimethylhexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N,2,3-trimethylhexan-1-amine
PubChem CID81016433
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name4-ethyl-N,2,3-trimethylhexan-1-amine
SMILESCCC(CC)C(C)C(C)CNC
InChIInChI=1S/C11H25N/c1-6-11(7-2)10(4)9(3)8-12-5/h9-12H,6-8H2,1-5H3
InChIKeyYBPCWQVWDLSWES-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-2-ethyl-N,3-dimethylpentan-1-amine
CID 163536067
4-ethyl-2,3-dimethyl-N-propylhexan-1-amine
CID 81015927
3,4-diethyl-N,2-dimethylheptan-1-amine
CID 123701896
3-ethyl-N,2,4-trimethylpentan-1-amine
CID 123681641
3-ethyl-N,2-dimethylhexane-1,6-diamine
CID 167243609
(3S,4R)-N,2,3,4,5,7,7-heptamethyloctan-1-amine
CID 162040885
2-ethyl-N,4,5-trimethylhexan-1-amine
CID 123189418
3,5-diethyl-4,6,7-trimethylnonane
CID 123912873
(2R)-3,3-difluoro-N,2-dimethylpropan-1-amine
CID 176965974
(4R)-3-ethyl-4-methylhexane
CID 59954491
(3R,5S)-4-dimethylphosphanyl-2-ethyl-N,3,5,9-tetramethyldecan-1-amine
CID 129267370
5-ethyl-2,3,4-trimethylheptane
CID 53428868

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N,2,3-trimethylhexan-1-amine?
The IUPAC name of 4-ethyl-N,2,3-trimethylhexan-1-amine (CID 81016433) is 4-ethyl-N,2,3-trimethylhexan-1-amine.
What is the SMILES notation for 4-ethyl-N,2,3-trimethylhexan-1-amine?
The canonical SMILES for 4-ethyl-N,2,3-trimethylhexan-1-amine is CCC(CC)C(C)C(C)CNC.
What is the InChIKey of 4-ethyl-N,2,3-trimethylhexan-1-amine?
The InChIKey is YBPCWQVWDLSWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-6-11(7-2)10(4)9(3)8-12-5/h9-12H,6-8H2,1-5H3.
What are the key properties of 4-ethyl-N,2,3-trimethylhexan-1-amine?
4-ethyl-N,2,3-trimethylhexan-1-amine has a molecular weight of 171.33 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N,2,3-trimethylhexan-1-amine is sourced from PubChem (CID 81016433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).