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

C11H23N — CID 123680580

IUPAC2-ethylidene-N,3,4-trimethylhexan-1-amine
SMILESCC=C(CNC)C(C)C(C)CC
InChIInChI=1S/C11H23N/c1-6-9(3)10(4)11(7-2)8-12-5/h7,9-10,12H,6,8H2,1-5H3
InChIKeyMYFLTPFGZGSIRN-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.83
Rot. Bonds5

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

2-ethylidene-N,3,4-trimethylhexan-1-amine (PubChem CID 123680580) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2-ethylidene-N,3,4-trimethylhexan-1-amine.

Molecular Properties

Compound Name2-ethylidene-N,3,4-trimethylhexan-1-amine
PubChem CID123680580
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2-ethylidene-N,3,4-trimethylhexan-1-amine
SMILESCC=C(CNC)C(C)C(C)CC
InChIInChI=1S/C11H23N/c1-6-9(3)10(4)11(7-2)8-12-5/h7,9-10,12H,6,8H2,1-5H3
InChIKeyMYFLTPFGZGSIRN-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 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 ≤ 52.83
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 2-ethylidene-N,3,4-trimethylhexan-1-amine?
The IUPAC name of 2-ethylidene-N,3,4-trimethylhexan-1-amine (CID 123680580) is 2-ethylidene-N,3,4-trimethylhexan-1-amine.
What is the SMILES notation for 2-ethylidene-N,3,4-trimethylhexan-1-amine?
The canonical SMILES for 2-ethylidene-N,3,4-trimethylhexan-1-amine is CC=C(CNC)C(C)C(C)CC.
What is the InChIKey of 2-ethylidene-N,3,4-trimethylhexan-1-amine?
The InChIKey is MYFLTPFGZGSIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-6-9(3)10(4)11(7-2)8-12-5/h7,9-10,12H,6,8H2,1-5H3.
What are the key properties of 2-ethylidene-N,3,4-trimethylhexan-1-amine?
2-ethylidene-N,3,4-trimethylhexan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-N,3,4-trimethylhexan-1-amine is sourced from PubChem (CID 123680580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).