3-ethenyl-5-ethyl-N,3,4,4,5-pentamethylheptan-2-amine

C16H33N — CID 134365887

IUPAC3-ethenyl-5-ethyl-N,3,4,4,5-pentamethylheptan-2-amine
SMILESC=CC(C)(C(C)NC)C(C)(C)C(C)(CC)CC
InChIInChI=1S/C16H33N/c1-10-15(7,11-2)14(5,6)16(8,12-3)13(4)17-9/h12-13,17H,3,10-11H2,1-2,4-9H3
InChIKeyZAKGQLDPRNERMN-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.64
Rot. Bonds7

About 3-ethenyl-5-ethyl-N,3,4,4,5-pentamethylheptan-2-amine

3-ethenyl-5-ethyl-N,3,4,4,5-pentamethylheptan-2-amine (PubChem CID 134365887) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 3-ethenyl-5-ethyl-N,3,4,4,5-pentamethylheptan-2-amine.

Molecular Properties

Compound Name3-ethenyl-5-ethyl-N,3,4,4,5-pentamethylheptan-2-amine
PubChem CID134365887
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name3-ethenyl-5-ethyl-N,3,4,4,5-pentamethylheptan-2-amine
SMILESC=CC(C)(C(C)NC)C(C)(C)C(C)(CC)CC
InChIInChI=1S/C16H33N/c1-10-15(7,11-2)14(5,6)16(8,12-3)13(4)17-9/h12-13,17H,3,10-11H2,1-2,4-9H3
InChIKeyZAKGQLDPRNERMN-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.64
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-ethenyl-5-ethyl-N,3,4,4,5-pentamethylheptan-2-amine?
The IUPAC name of 3-ethenyl-5-ethyl-N,3,4,4,5-pentamethylheptan-2-amine (CID 134365887) is 3-ethenyl-5-ethyl-N,3,4,4,5-pentamethylheptan-2-amine.
What is the SMILES notation for 3-ethenyl-5-ethyl-N,3,4,4,5-pentamethylheptan-2-amine?
The canonical SMILES for 3-ethenyl-5-ethyl-N,3,4,4,5-pentamethylheptan-2-amine is C=CC(C)(C(C)NC)C(C)(C)C(C)(CC)CC.
What is the InChIKey of 3-ethenyl-5-ethyl-N,3,4,4,5-pentamethylheptan-2-amine?
The InChIKey is ZAKGQLDPRNERMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-10-15(7,11-2)14(5,6)16(8,12-3)13(4)17-9/h12-13,17H,3,10-11H2,1-2,4-9H3.
What are the key properties of 3-ethenyl-5-ethyl-N,3,4,4,5-pentamethylheptan-2-amine?
3-ethenyl-5-ethyl-N,3,4,4,5-pentamethylheptan-2-amine has a molecular weight of 239.45 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-ethyl-N,3,4,4,5-pentamethylheptan-2-amine is sourced from PubChem (CID 134365887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).