3,4-diethyl-4-methylhexan-3-amine

C11H25N — CID 89098047

IUPAC3,4-diethyl-4-methylhexan-3-amine
SMILESCCC(C)(CC)C(N)(CC)CC
InChIInChI=1S/C11H25N/c1-6-10(5,7-2)11(12,8-3)9-4/h6-9,12H2,1-5H3
InChIKeyUUNDXTIABDYZOX-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.33
Rot. Bonds5

About 3,4-diethyl-4-methylhexan-3-amine

3,4-diethyl-4-methylhexan-3-amine (PubChem CID 89098047) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 3,4-diethyl-4-methylhexan-3-amine.

Molecular Properties

Compound Name3,4-diethyl-4-methylhexan-3-amine
PubChem CID89098047
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name3,4-diethyl-4-methylhexan-3-amine
SMILESCCC(C)(CC)C(N)(CC)CC
InChIInChI=1S/C11H25N/c1-6-10(5,7-2)11(12,8-3)9-4/h6-9,12H2,1-5H3
InChIKeyUUNDXTIABDYZOX-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-4-methylhexan-3-amine?
The IUPAC name of 3,4-diethyl-4-methylhexan-3-amine (CID 89098047) is 3,4-diethyl-4-methylhexan-3-amine.
What is the SMILES notation for 3,4-diethyl-4-methylhexan-3-amine?
The canonical SMILES for 3,4-diethyl-4-methylhexan-3-amine is CCC(C)(CC)C(N)(CC)CC.
What is the InChIKey of 3,4-diethyl-4-methylhexan-3-amine?
The InChIKey is UUNDXTIABDYZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-6-10(5,7-2)11(12,8-3)9-4/h6-9,12H2,1-5H3.
What are the key properties of 3,4-diethyl-4-methylhexan-3-amine?
3,4-diethyl-4-methylhexan-3-amine has a molecular weight of 171.33 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-4-methylhexan-3-amine is sourced from PubChem (CID 89098047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).