3-ethyl-3,4-dimethyl-2-methylidenehexan-1-amine

C11H23N — CID 90843746

IUPAC3-ethyl-3,4-dimethyl-2-methylidenehexan-1-amine
SMILESC=C(CN)C(C)(CC)C(C)CC
InChIInChI=1S/C11H23N/c1-6-9(3)11(5,7-2)10(4)8-12/h9H,4,6-8,12H2,1-3,5H3
InChIKeyOLLQHVGFNGANGI-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.96
Rot. Bonds5

About 3-ethyl-3,4-dimethyl-2-methylidenehexan-1-amine

3-ethyl-3,4-dimethyl-2-methylidenehexan-1-amine (PubChem CID 90843746) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 3-ethyl-3,4-dimethyl-2-methylidenehexan-1-amine.

Molecular Properties

Compound Name3-ethyl-3,4-dimethyl-2-methylidenehexan-1-amine
PubChem CID90843746
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name3-ethyl-3,4-dimethyl-2-methylidenehexan-1-amine
SMILESC=C(CN)C(C)(CC)C(C)CC
InChIInChI=1S/C11H23N/c1-6-9(3)11(5,7-2)10(4)8-12/h9H,4,6-8,12H2,1-3,5H3
InChIKeyOLLQHVGFNGANGI-UHFFFAOYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,4-dimethyl-2-methylidenehexan-1-amine?
The IUPAC name of 3-ethyl-3,4-dimethyl-2-methylidenehexan-1-amine (CID 90843746) is 3-ethyl-3,4-dimethyl-2-methylidenehexan-1-amine.
What is the SMILES notation for 3-ethyl-3,4-dimethyl-2-methylidenehexan-1-amine?
The canonical SMILES for 3-ethyl-3,4-dimethyl-2-methylidenehexan-1-amine is C=C(CN)C(C)(CC)C(C)CC.
What is the InChIKey of 3-ethyl-3,4-dimethyl-2-methylidenehexan-1-amine?
The InChIKey is OLLQHVGFNGANGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-6-9(3)11(5,7-2)10(4)8-12/h9H,4,6-8,12H2,1-3,5H3.
What are the key properties of 3-ethyl-3,4-dimethyl-2-methylidenehexan-1-amine?
3-ethyl-3,4-dimethyl-2-methylidenehexan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,4-dimethyl-2-methylidenehexan-1-amine is sourced from PubChem (CID 90843746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).