(E)-N-tert-butyl-2-methylbut-2-en-1-amine

C9H19N — CID 14244683

IUPAC(E)-N-tert-butyl-2-methylbut-2-en-1-amine
SMILESC/C=C(\C)CNC(C)(C)C
InChIInChI=1S/C9H19N/c1-6-8(2)7-10-9(3,4)5/h6,10H,7H2,1-5H3/b8-6+
InChIKeyKOBFBFZVTMDAEW-SOFGYWHQSA-N
MW141.26 g/mol
LogP2.34
Rot. Bonds2

About (E)-N-tert-butyl-2-methylbut-2-en-1-amine

(E)-N-tert-butyl-2-methylbut-2-en-1-amine (PubChem CID 14244683) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (E)-N-tert-butyl-2-methylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-tert-butyl-2-methylbut-2-en-1-amine
PubChem CID14244683
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(E)-N-tert-butyl-2-methylbut-2-en-1-amine
SMILESC/C=C(\C)CNC(C)(C)C
InChIInChI=1S/C9H19N/c1-6-8(2)7-10-9(3,4)5/h6,10H,7H2,1-5H3/b8-6+
InChIKeyKOBFBFZVTMDAEW-SOFGYWHQSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.34
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 (E)-N-tert-butyl-2-methylbut-2-en-1-amine?
The IUPAC name of (E)-N-tert-butyl-2-methylbut-2-en-1-amine (CID 14244683) is (E)-N-tert-butyl-2-methylbut-2-en-1-amine.
What is the SMILES notation for (E)-N-tert-butyl-2-methylbut-2-en-1-amine?
The canonical SMILES for (E)-N-tert-butyl-2-methylbut-2-en-1-amine is C/C=C(\C)CNC(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-2-methylbut-2-en-1-amine?
The InChIKey is KOBFBFZVTMDAEW-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H19N/c1-6-8(2)7-10-9(3,4)5/h6,10H,7H2,1-5H3/b8-6+.
What are the key properties of (E)-N-tert-butyl-2-methylbut-2-en-1-amine?
(E)-N-tert-butyl-2-methylbut-2-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-2-methylbut-2-en-1-amine is sourced from PubChem (CID 14244683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).