(E)-N-tert-butyl-N-(3,3-dimethylbutan-2-yl)hex-1-en-1-amine

C16H33N — CID 11287890

IUPAC(E)-N-tert-butyl-N-(3,3-dimethylbutan-2-yl)hex-1-en-1-amine
SMILESCCCC/C=C/N(C(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H33N/c1-9-10-11-12-13-17(16(6,7)8)14(2)15(3,4)5/h12-14H,9-11H2,1-8H3/b13-12+
InChIKeyIMWDURIEHGMEGZ-OUKQBFOZSA-N
MW239.45 g/mol
LogP5.23
Rot. Bonds5

About (E)-N-tert-butyl-N-(3,3-dimethylbutan-2-yl)hex-1-en-1-amine

(E)-N-tert-butyl-N-(3,3-dimethylbutan-2-yl)hex-1-en-1-amine (PubChem CID 11287890) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is (E)-N-tert-butyl-N-(3,3-dimethylbutan-2-yl)hex-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-tert-butyl-N-(3,3-dimethylbutan-2-yl)hex-1-en-1-amine
PubChem CID11287890
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name(E)-N-tert-butyl-N-(3,3-dimethylbutan-2-yl)hex-1-en-1-amine
SMILESCCCC/C=C/N(C(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H33N/c1-9-10-11-12-13-17(16(6,7)8)14(2)15(3,4)5/h12-14H,9-11H2,1-8H3/b13-12+
InChIKeyIMWDURIEHGMEGZ-OUKQBFOZSA-N
XLogP5.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-N-(3,3-dimethylbutan-2-yl)hex-1-en-1-amine?
The IUPAC name of (E)-N-tert-butyl-N-(3,3-dimethylbutan-2-yl)hex-1-en-1-amine (CID 11287890) is (E)-N-tert-butyl-N-(3,3-dimethylbutan-2-yl)hex-1-en-1-amine.
What is the SMILES notation for (E)-N-tert-butyl-N-(3,3-dimethylbutan-2-yl)hex-1-en-1-amine?
The canonical SMILES for (E)-N-tert-butyl-N-(3,3-dimethylbutan-2-yl)hex-1-en-1-amine is CCCC/C=C/N(C(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-N-(3,3-dimethylbutan-2-yl)hex-1-en-1-amine?
The InChIKey is IMWDURIEHGMEGZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H33N/c1-9-10-11-12-13-17(16(6,7)8)14(2)15(3,4)5/h12-14H,9-11H2,1-8H3/b13-12+.
What are the key properties of (E)-N-tert-butyl-N-(3,3-dimethylbutan-2-yl)hex-1-en-1-amine?
(E)-N-tert-butyl-N-(3,3-dimethylbutan-2-yl)hex-1-en-1-amine has a molecular weight of 239.45 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-N-(3,3-dimethylbutan-2-yl)hex-1-en-1-amine is sourced from PubChem (CID 11287890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).